NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596707 |
2mw8   |
25307 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mw8
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 749
_Distance_constraint_stats_list.Viol_count 259
_Distance_constraint_stats_list.Viol_total 32.218
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0062
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ASN 0.011 0.004 2 0 "[ . 1 . 2]"
1 6 ARG 0.011 0.004 2 0 "[ . 1 . 2]"
1 7 GLN 0.004 0.004 20 0 "[ . 1 . 2]"
1 8 LYS 0.088 0.044 20 0 "[ . 1 . 2]"
1 9 THR 0.106 0.044 20 0 "[ . 1 . 2]"
1 10 ARG 0.022 0.014 15 0 "[ . 1 . 2]"
1 11 PRO 0.062 0.053 11 0 "[ . 1 . 2]"
1 12 ARG 0.237 0.053 11 0 "[ . 1 . 2]"
1 13 THR 0.291 0.052 2 0 "[ . 1 . 2]"
1 14 LYS 0.166 0.052 2 0 "[ . 1 . 2]"
1 15 ILE 0.061 0.035 7 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 18 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.018 0.006 7 0 "[ . 1 . 2]"
1 20 LEU 0.047 0.016 7 0 "[ . 1 . 2]"
1 21 GLY 0.054 0.016 7 0 "[ . 1 . 2]"
1 22 ILE 0.006 0.003 4 0 "[ . 1 . 2]"
1 23 LEU 0.024 0.004 17 0 "[ . 1 . 2]"
1 24 GLN 0.009 0.007 8 0 "[ . 1 . 2]"
1 25 SER 0.002 0.002 6 0 "[ . 1 . 2]"
1 26 PHE 0.060 0.016 8 0 "[ . 1 . 2]"
1 27 ILE 0.070 0.027 6 0 "[ . 1 . 2]"
1 28 GLN 0.002 0.002 6 0 "[ . 1 . 2]"
1 29 ASP 0.013 0.012 8 0 "[ . 1 . 2]"
1 30 VAL 0.045 0.012 8 0 "[ . 1 . 2]"
1 31 GLY 0.012 0.010 6 0 "[ . 1 . 2]"
1 32 LEU 0.190 0.056 8 0 "[ . 1 . 2]"
1 33 TYR 0.125 0.056 8 0 "[ . 1 . 2]"
1 34 PRO 0.023 0.004 20 0 "[ . 1 . 2]"
1 35 ASP 0.006 0.003 5 0 "[ . 1 . 2]"
1 36 GLU 0.003 0.001 6 0 "[ . 1 . 2]"
1 37 GLU 0.004 0.004 17 0 "[ . 1 . 2]"
1 38 ALA 0.029 0.017 17 0 "[ . 1 . 2]"
1 39 ILE 0.015 0.004 20 0 "[ . 1 . 2]"
1 40 GLN 0.009 0.004 17 0 "[ . 1 . 2]"
1 41 THR 0.022 0.017 17 0 "[ . 1 . 2]"
1 42 LEU 0.018 0.004 8 0 "[ . 1 . 2]"
1 43 SER 0.007 0.003 1 0 "[ . 1 . 2]"
1 44 ALA 0.004 0.001 6 0 "[ . 1 . 2]"
1 45 GLN 0.004 0.003 7 0 "[ . 1 . 2]"
1 46 LEU 0.006 0.003 7 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.077 0.007 3 0 "[ . 1 . 2]"
1 49 PRO 0.094 0.009 15 0 "[ . 1 . 2]"
1 50 LYS 0.021 0.011 15 0 "[ . 1 . 2]"
1 51 TYR 0.111 0.017 5 0 "[ . 1 . 2]"
1 52 THR 0.020 0.006 11 0 "[ . 1 . 2]"
1 53 ILE 0.037 0.007 12 0 "[ . 1 . 2]"
1 54 ILE 0.054 0.017 5 0 "[ . 1 . 2]"
1 55 LYS 0.024 0.004 16 0 "[ . 1 . 2]"
1 56 PHE 0.048 0.007 12 0 "[ . 1 . 2]"
1 57 PHE 0.040 0.006 4 0 "[ . 1 . 2]"
1 58 GLN 0.004 0.004 19 0 "[ . 1 . 2]"
1 59 ASN 0.004 0.004 19 0 "[ . 1 . 2]"
1 60 GLN 0.014 0.005 8 0 "[ . 1 . 2]"
1 61 ARG 0.031 0.010 4 0 "[ . 1 . 2]"
1 62 TYR 0.013 0.004 19 0 "[ . 1 . 2]"
1 63 TYR 0.084 0.023 5 0 "[ . 1 . 2]"
1 64 LEU 0.031 0.011 5 0 "[ . 1 . 2]"
1 65 LYS 0.010 0.004 4 0 "[ . 1 . 2]"
1 66 HIS 0.006 0.004 4 0 "[ . 1 . 2]"
1 67 HIS 0.043 0.023 5 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 12 0 "[ . 1 . 2]"
1 69 LYS 0.011 0.004 20 0 "[ . 1 . 2]"
1 70 LEU 0.291 0.050 2 0 "[ . 1 . 2]"
1 71 LYS 0.269 0.050 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ASN HA 1 6 ARG H 5.000 2.500 6.000 3.158 2.496 3.567 0.004 2 0 "[ . 1 . 2]" 1
2 1 5 ASN QB 1 6 ARG H 5.000 2.500 6.000 3.061 2.496 4.044 0.004 2 0 "[ . 1 . 2]" 1
3 1 6 ARG QB 1 7 GLN H 3.500 . 4.500 3.205 2.171 3.976 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLN HA 1 8 LYS H 2.000 . 2.800 2.342 2.140 2.804 0.004 20 0 "[ . 1 . 2]" 1
5 1 7 GLN QB 1 8 LYS H 3.500 . 4.500 3.159 2.031 3.952 . 0 0 "[ . 1 . 2]" 1
6 1 8 LYS HA 1 9 THR H 2.500 . 3.500 2.605 2.140 3.544 0.044 20 0 "[ . 1 . 2]" 1
7 1 8 LYS QB 1 9 THR H 3.500 . 4.500 3.276 2.025 4.024 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS H 1 9 THR H 3.500 . 4.500 3.500 1.996 4.460 0.004 19 0 "[ . 1 . 2]" 1
9 1 9 THR HA 1 10 ARG H 2.000 . 2.800 2.281 2.140 2.624 . 0 0 "[ . 1 . 2]" 1
10 1 9 THR HB 1 10 ARG H 3.500 . 4.500 3.353 1.995 4.352 0.005 3 0 "[ . 1 . 2]" 1
11 1 9 THR MG 1 10 ARG H 5.000 2.500 6.000 3.620 3.013 4.282 . 0 0 "[ . 1 . 2]" 1
12 1 9 THR H 1 10 ARG H 3.500 . 4.500 4.162 3.086 4.514 0.014 15 0 "[ . 1 . 2]" 1
13 1 10 ARG HA 1 11 PRO HD3 2.500 . 3.500 2.430 1.941 3.209 . 0 0 "[ . 1 . 2]" 1
14 1 10 ARG HA 1 11 PRO HD2 2.500 . 3.500 2.262 1.954 2.694 . 0 0 "[ . 1 . 2]" 1
15 1 10 ARG HA 1 11 PRO QG 5.000 2.500 6.000 3.887 3.793 4.175 . 0 0 "[ . 1 . 2]" 1
16 1 10 ARG QB 1 11 PRO QD 5.000 2.500 6.000 3.427 2.761 3.843 . 0 0 "[ . 1 . 2]" 1
17 1 10 ARG H 1 11 PRO HD3 5.000 2.500 6.000 3.842 2.512 4.819 . 0 0 "[ . 1 . 2]" 1
18 1 10 ARG H 1 11 PRO HD2 5.000 2.500 6.000 4.519 3.472 5.267 . 0 0 "[ . 1 . 2]" 1
19 1 11 PRO HA 1 12 ARG H 2.500 . 3.500 2.596 2.175 3.553 0.053 11 0 "[ . 1 . 2]" 1
20 1 11 PRO QB 1 12 ARG H 3.500 . 4.500 3.100 2.201 3.944 . 0 0 "[ . 1 . 2]" 1
21 1 11 PRO QD 1 12 ARG H 5.000 2.500 6.000 4.380 2.577 5.003 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG HA 1 13 THR H 2.500 . 3.500 2.574 2.139 3.548 0.048 20 0 "[ . 1 . 2]" 1
23 1 12 ARG QB 1 13 THR H 3.500 . 4.500 3.070 1.997 3.981 0.003 10 0 "[ . 1 . 2]" 1
24 1 12 ARG QG 1 13 THR H 3.500 . 4.500 3.575 2.208 4.450 . 0 0 "[ . 1 . 2]" 1
25 1 12 ARG H 1 13 THR H 5.000 2.500 6.000 3.767 2.531 4.629 . 0 0 "[ . 1 . 2]" 1
26 1 13 THR HA 1 14 LYS H 2.500 . 3.500 2.562 2.145 3.552 0.052 2 0 "[ . 1 . 2]" 1
27 1 13 THR HB 1 14 LYS H 5.000 2.500 6.000 3.620 2.498 4.627 0.002 20 0 "[ . 1 . 2]" 1
28 1 13 THR MG 1 14 LYS H 3.500 . 4.500 3.496 1.999 4.293 0.001 20 0 "[ . 1 . 2]" 1
29 1 13 THR H 1 14 LYS H 3.500 . 4.500 3.773 2.105 4.502 0.002 5 0 "[ . 1 . 2]" 1
30 1 14 LYS HA 1 15 ILE QG 3.500 . 4.500 3.705 3.111 4.396 . 0 0 "[ . 1 . 2]" 1
31 1 14 LYS HA 1 15 ILE H 2.000 . 2.800 2.349 2.140 2.802 0.002 16 0 "[ . 1 . 2]" 1
32 1 14 LYS QB 1 15 ILE H 3.500 . 4.500 3.178 2.232 4.013 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS HG3 1 15 ILE H 5.000 2.500 6.000 4.262 2.499 5.945 0.001 3 0 "[ . 1 . 2]" 1
34 1 14 LYS HG2 1 15 ILE H 5.000 2.500 6.000 3.896 2.500 5.565 0.000 8 0 "[ . 1 . 2]" 1
35 1 14 LYS H 1 15 ILE H 3.500 . 4.500 4.112 2.328 4.535 0.035 7 0 "[ . 1 . 2]" 1
36 1 15 ILE HA 1 16 SER H 2.000 . 2.800 2.190 2.140 2.318 . 0 0 "[ . 1 . 2]" 1
37 1 15 ILE HB 1 16 SER H 5.000 2.500 6.000 4.056 3.731 4.434 . 0 0 "[ . 1 . 2]" 1
38 1 15 ILE MD 1 16 SER H 5.000 2.500 6.000 5.162 4.783 5.622 . 0 0 "[ . 1 . 2]" 1
39 1 15 ILE QG 1 16 SER H 5.000 2.500 6.000 4.252 4.114 4.473 . 0 0 "[ . 1 . 2]" 1
40 1 15 ILE MG 1 16 SER H 3.500 . 4.500 2.552 2.059 3.481 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE H 1 16 SER H 5.000 2.500 6.000 4.204 3.768 4.577 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE MG 1 19 ALA MB 2.000 . 2.800 1.804 1.689 2.002 . 0 0 "[ . 1 . 2]" 1
43 1 15 ILE MG 1 19 ALA H 3.500 . 4.500 3.598 3.310 3.849 . 0 0 "[ . 1 . 2]" 1
44 1 15 ILE MG 1 20 LEU HA 3.500 . 4.500 3.486 2.731 4.338 . 0 0 "[ . 1 . 2]" 1
45 1 15 ILE MG 1 20 LEU H 3.500 . 4.500 2.987 2.426 3.605 . 0 0 "[ . 1 . 2]" 1
46 1 15 ILE MD 1 23 LEU QD 2.500 . 3.500 3.003 2.286 3.502 0.002 14 0 "[ . 1 . 2]" 1
47 1 15 ILE MG 1 23 LEU QD 2.500 . 3.500 2.759 1.954 3.376 . 0 0 "[ . 1 . 2]" 1
48 1 15 ILE HA 1 48 LEU QD 3.500 . 4.500 2.665 2.022 3.313 . 0 0 "[ . 1 . 2]" 1
49 1 15 ILE MD 1 48 LEU QD 2.500 . 3.500 3.163 2.348 3.504 0.004 13 0 "[ . 1 . 2]" 1
50 1 15 ILE QG 1 48 LEU QD 2.000 . 2.800 2.353 1.916 2.800 . 0 0 "[ . 1 . 2]" 1
51 1 15 ILE MG 1 48 LEU QD 2.000 . 2.800 2.225 1.811 2.804 0.004 11 0 "[ . 1 . 2]" 1
52 1 15 ILE MD 1 52 THR MG 2.500 . 3.500 2.432 1.835 3.108 . 0 0 "[ . 1 . 2]" 1
53 1 15 ILE QG 1 52 THR MG 3.500 . 4.500 2.579 2.031 3.302 . 0 0 "[ . 1 . 2]" 1
54 1 15 ILE MG 1 52 THR MG 3.500 . 4.500 3.907 2.884 4.400 . 0 0 "[ . 1 . 2]" 1
55 1 15 ILE HB 1 56 PHE QE 5.000 2.500 6.000 5.056 3.859 5.829 . 0 0 "[ . 1 . 2]" 1
56 1 15 ILE MD 1 56 PHE HB3 3.500 . 4.500 4.207 3.739 4.499 . 0 0 "[ . 1 . 2]" 1
57 1 15 ILE MD 1 56 PHE HB2 3.500 . 4.500 3.085 2.750 3.426 . 0 0 "[ . 1 . 2]" 1
58 1 15 ILE MD 1 56 PHE QD 2.500 . 3.500 2.693 1.962 3.461 . 0 0 "[ . 1 . 2]" 1
59 1 15 ILE MD 1 56 PHE QE 3.500 . 4.500 3.373 2.212 4.160 . 0 0 "[ . 1 . 2]" 1
60 1 15 ILE MD 1 56 PHE H 5.000 2.500 6.000 4.897 4.323 5.514 . 0 0 "[ . 1 . 2]" 1
61 1 15 ILE QG 1 56 PHE QD 5.000 2.500 6.000 4.680 3.899 5.436 . 0 0 "[ . 1 . 2]" 1
62 1 16 SER HA 1 17 VAL HA 3.500 . 4.500 4.302 4.295 4.312 . 0 0 "[ . 1 . 2]" 1
63 1 16 SER HA 1 17 VAL MG1 5.000 2.500 6.000 5.541 5.484 5.607 . 0 0 "[ . 1 . 2]" 1
64 1 16 SER HA 1 17 VAL MG2 3.500 . 4.500 3.571 3.443 3.710 . 0 0 "[ . 1 . 2]" 1
65 1 16 SER HA 1 17 VAL H 2.500 . 3.500 2.402 2.250 2.568 . 0 0 "[ . 1 . 2]" 1
66 1 16 SER QB 1 17 VAL H 3.500 . 4.500 2.652 2.184 3.330 . 0 0 "[ . 1 . 2]" 1
67 1 16 SER HA 1 18 GLU H 3.500 . 4.500 4.268 4.020 4.500 . 0 0 "[ . 1 . 2]" 1
68 1 16 SER HA 1 19 ALA H 5.000 2.500 6.000 4.702 4.505 4.918 . 0 0 "[ . 1 . 2]" 1
69 1 16 SER QB 1 19 ALA H 5.000 2.500 6.000 2.948 2.500 3.919 . 18 0 "[ . 1 . 2]" 1
70 1 16 SER H 1 19 ALA MB 3.500 . 4.500 2.874 2.311 3.564 . 0 0 "[ . 1 . 2]" 1
71 1 16 SER H 1 48 LEU QD 5.000 2.500 6.000 3.426 2.749 4.108 . 0 0 "[ . 1 . 2]" 1
72 1 17 VAL HA 1 18 GLU H 3.500 . 4.500 3.510 3.483 3.549 . 0 0 "[ . 1 . 2]" 1
73 1 17 VAL MG1 1 18 GLU HA 3.500 . 4.500 3.758 3.643 3.839 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL MG1 1 18 GLU H 3.500 . 4.500 3.719 3.575 3.812 . 0 0 "[ . 1 . 2]" 1
75 1 17 VAL MG2 1 18 GLU H 3.500 . 4.500 3.774 3.652 3.833 . 0 0 "[ . 1 . 2]" 1
76 1 17 VAL H 1 18 GLU HA 5.000 2.500 6.000 5.271 5.219 5.355 . 0 0 "[ . 1 . 2]" 1
77 1 17 VAL H 1 18 GLU H 2.500 . 3.500 2.682 2.626 2.766 . 0 0 "[ . 1 . 2]" 1
78 1 17 VAL HA 1 19 ALA H 5.000 2.500 6.000 4.315 4.081 4.505 . 0 0 "[ . 1 . 2]" 1
79 1 17 VAL H 1 19 ALA MB 5.000 2.500 6.000 5.051 4.697 5.468 . 0 0 "[ . 1 . 2]" 1
80 1 17 VAL H 1 19 ALA H 5.000 2.500 6.000 4.300 4.012 4.577 . 0 0 "[ . 1 . 2]" 1
81 1 17 VAL HA 1 21 GLY H 5.000 2.500 6.000 4.205 3.477 4.644 . 0 0 "[ . 1 . 2]" 1
82 1 18 GLU HA 1 19 ALA H 3.500 . 4.500 3.530 3.494 3.558 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLU HB3 1 19 ALA H 3.500 . 4.500 3.183 2.531 3.813 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLU HB2 1 19 ALA H 3.500 . 4.500 3.070 2.522 3.920 . 0 0 "[ . 1 . 2]" 1
85 1 18 GLU HG3 1 19 ALA H 5.000 2.500 6.000 4.766 3.975 5.316 . 0 0 "[ . 1 . 2]" 1
86 1 18 GLU HG2 1 19 ALA H 5.000 2.500 6.000 4.760 3.765 5.249 . 0 0 "[ . 1 . 2]" 1
87 1 18 GLU H 1 19 ALA H 3.500 . 4.500 2.672 2.532 2.800 . 0 0 "[ . 1 . 2]" 1
88 1 18 GLU H 1 20 LEU H 3.500 . 4.500 4.108 3.901 4.344 . 0 0 "[ . 1 . 2]" 1
89 1 18 GLU HA 1 21 GLY H 3.500 . 4.500 3.654 3.432 3.908 . 0 0 "[ . 1 . 2]" 1
90 1 18 GLU H 1 21 GLY H 5.000 2.500 6.000 4.875 4.573 5.241 . 0 0 "[ . 1 . 2]" 1
91 1 19 ALA HA 1 20 LEU H 5.000 2.500 6.000 3.525 3.492 3.555 . 0 0 "[ . 1 . 2]" 1
92 1 19 ALA MB 1 20 LEU H 3.500 . 4.500 2.681 2.518 2.824 . 0 0 "[ . 1 . 2]" 1
93 1 19 ALA H 1 20 LEU QB 5.000 2.500 6.000 4.307 4.201 4.484 . 0 0 "[ . 1 . 2]" 1
94 1 19 ALA H 1 20 LEU H 3.500 . 4.500 2.576 2.456 2.736 . 0 0 "[ . 1 . 2]" 1
95 1 19 ALA HA 1 21 GLY H 5.000 2.500 6.000 4.378 4.034 4.843 . 0 0 "[ . 1 . 2]" 1
96 1 19 ALA H 1 21 GLY H 3.500 . 4.500 4.158 3.980 4.506 0.006 7 0 "[ . 1 . 2]" 1
97 1 19 ALA HA 1 22 ILE HB 2.500 . 3.500 3.269 2.906 3.503 0.003 4 0 "[ . 1 . 2]" 1
98 1 19 ALA HA 1 22 ILE MD 2.000 . 2.800 2.490 2.073 2.759 . 0 0 "[ . 1 . 2]" 1
99 1 19 ALA HA 1 22 ILE QG 3.500 . 4.500 3.786 3.187 4.323 . 0 0 "[ . 1 . 2]" 1
100 1 19 ALA HA 1 22 ILE H 3.500 . 4.500 3.608 3.407 3.791 . 0 0 "[ . 1 . 2]" 1
101 1 19 ALA H 1 22 ILE MD 5.000 2.500 6.000 4.271 3.850 4.662 . 0 0 "[ . 1 . 2]" 1
102 1 19 ALA HA 1 23 LEU H 5.000 2.500 6.000 4.131 3.814 4.458 . 0 0 "[ . 1 . 2]" 1
103 1 19 ALA HA 1 46 LEU QD 2.000 . 2.800 2.095 1.819 2.573 . 0 0 "[ . 1 . 2]" 1
104 1 19 ALA MB 1 46 LEU QD 2.000 . 2.800 2.152 1.756 2.756 . 0 0 "[ . 1 . 2]" 1
105 1 19 ALA H 1 46 LEU QD 5.000 2.500 6.000 4.090 3.675 4.755 . 0 0 "[ . 1 . 2]" 1
106 1 20 LEU HA 1 21 GLY H 3.500 . 4.500 3.530 3.493 3.570 . 0 0 "[ . 1 . 2]" 1
107 1 20 LEU QB 1 21 GLY H 2.500 . 3.500 2.566 2.152 2.795 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU QD 1 21 GLY QA 3.500 . 4.500 3.856 2.761 4.432 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU QD 1 21 GLY H 5.000 2.500 6.000 3.842 3.013 4.149 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU HG 1 21 GLY H 3.500 . 4.500 4.253 3.661 4.516 0.016 7 0 "[ . 1 . 2]" 1
111 1 20 LEU H 1 21 GLY H 3.500 . 4.500 2.669 2.464 2.896 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU HA 1 23 LEU QB 3.500 . 4.500 2.498 2.249 2.860 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU HA 1 23 LEU QD 3.500 . 4.500 2.747 2.003 3.481 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU HA 1 23 LEU H 5.000 2.500 6.000 3.513 3.394 3.765 . 0 0 "[ . 1 . 2]" 1
115 1 20 LEU HA 1 24 GLN H 5.000 2.500 6.000 4.025 3.672 4.332 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU QD 1 24 GLN QE 3.500 . 4.500 3.465 2.481 4.498 . 0 0 "[ . 1 . 2]" 1
117 1 20 LEU QD 1 24 GLN H 3.500 . 4.500 4.134 3.263 4.501 0.001 8 0 "[ . 1 . 2]" 1
118 1 20 LEU MD1 1 24 GLN QE 5.000 2.500 6.000 4.135 2.507 5.140 . 0 0 "[ . 1 . 2]" 1
119 1 20 LEU MD2 1 24 GLN QE 5.000 2.500 6.000 4.134 2.684 6.001 0.001 19 0 "[ . 1 . 2]" 1
120 1 20 LEU HG 1 24 GLN QG 5.000 2.500 6.000 3.097 2.499 4.704 0.001 3 0 "[ . 1 . 2]" 1
121 1 20 LEU HA 1 56 PHE QE 3.500 . 4.500 4.359 4.100 4.506 0.006 19 0 "[ . 1 . 2]" 1
122 1 20 LEU HA 1 56 PHE HZ 5.000 2.500 6.000 4.114 3.429 4.428 . 0 0 "[ . 1 . 2]" 1
123 1 20 LEU QD 1 56 PHE QD 3.500 . 4.500 4.054 3.666 4.320 . 0 0 "[ . 1 . 2]" 1
124 1 20 LEU QD 1 56 PHE QE 2.500 . 3.500 2.436 2.059 2.795 . 0 0 "[ . 1 . 2]" 1
125 1 20 LEU QD 1 56 PHE HZ 2.500 . 3.500 2.265 1.825 2.919 . 0 0 "[ . 1 . 2]" 1
126 1 21 GLY QA 1 22 ILE H 3.500 . 4.500 2.669 2.533 2.746 . 0 0 "[ . 1 . 2]" 1
127 1 21 GLY H 1 22 ILE HA 5.000 2.500 6.000 5.349 5.170 5.453 . 0 0 "[ . 1 . 2]" 1
128 1 21 GLY H 1 22 ILE H 3.500 . 4.500 2.758 2.531 2.919 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLY QA 1 23 LEU H 3.500 . 4.500 4.031 3.839 4.207 . 0 0 "[ . 1 . 2]" 1
130 1 21 GLY H 1 23 LEU H 5.000 2.500 6.000 4.056 3.839 4.267 . 0 0 "[ . 1 . 2]" 1
131 1 21 GLY QA 1 24 GLN H 3.500 . 4.500 3.596 3.415 3.852 . 0 0 "[ . 1 . 2]" 1
132 1 22 ILE HA 1 23 LEU H 5.000 2.500 6.000 3.517 3.492 3.545 . 0 0 "[ . 1 . 2]" 1
133 1 22 ILE HB 1 23 LEU H 3.500 . 4.500 2.720 2.540 2.858 . 0 0 "[ . 1 . 2]" 1
134 1 22 ILE MD 1 23 LEU H 3.500 . 4.500 4.312 4.049 4.503 0.003 12 0 "[ . 1 . 2]" 1
135 1 22 ILE MG 1 23 LEU H 3.500 . 4.500 3.686 3.537 3.785 . 0 0 "[ . 1 . 2]" 1
136 1 22 ILE H 1 23 LEU QB 5.000 2.500 6.000 4.360 4.233 4.601 . 0 0 "[ . 1 . 2]" 1
137 1 22 ILE H 1 23 LEU H 3.500 . 4.500 2.565 2.469 2.681 . 0 0 "[ . 1 . 2]" 1
138 1 22 ILE HA 1 24 GLN H 5.000 2.500 6.000 4.409 4.188 4.668 . 0 0 "[ . 1 . 2]" 1
139 1 22 ILE H 1 24 GLN H 5.000 2.500 6.000 4.186 3.996 4.514 . 0 0 "[ . 1 . 2]" 1
140 1 22 ILE HA 1 25 SER HA 5.000 2.500 6.000 5.581 5.219 5.867 . 0 0 "[ . 1 . 2]" 1
141 1 22 ILE HA 1 25 SER HB3 5.000 2.500 6.000 4.518 3.888 5.061 . 0 0 "[ . 1 . 2]" 1
142 1 22 ILE HA 1 25 SER HB2 3.500 . 4.500 3.084 2.375 3.730 . 0 0 "[ . 1 . 2]" 1
143 1 22 ILE HA 1 25 SER H 3.500 . 4.500 3.540 3.361 3.713 . 0 0 "[ . 1 . 2]" 1
144 1 22 ILE HA 1 26 PHE H 5.000 2.500 6.000 4.535 4.188 4.808 . 0 0 "[ . 1 . 2]" 1
145 1 22 ILE MG 1 26 PHE H 5.000 2.500 6.000 4.231 3.921 4.473 . 0 0 "[ . 1 . 2]" 1
146 1 22 ILE MD 1 45 GLN QE 3.500 . 4.500 3.524 2.794 4.309 . 0 0 "[ . 1 . 2]" 1
147 1 22 ILE MG 1 45 GLN QE 3.500 . 4.500 3.086 2.077 3.902 . 0 0 "[ . 1 . 2]" 1
148 1 22 ILE HB 1 46 LEU QD 3.500 . 4.500 2.482 2.000 3.137 . 0 0 "[ . 1 . 2]" 1
149 1 22 ILE MD 1 46 LEU QD 2.500 . 3.500 2.117 1.808 2.921 . 0 0 "[ . 1 . 2]" 1
150 1 22 ILE MG 1 46 LEU QD 2.500 . 3.500 2.783 2.204 3.343 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU HA 1 24 GLN H 5.000 2.500 6.000 3.533 3.495 3.563 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU QB 1 24 GLN HA 3.500 . 4.500 3.812 3.698 3.888 . 0 0 "[ . 1 . 2]" 1
153 1 23 LEU QB 1 24 GLN H 3.500 . 4.500 2.628 2.356 2.857 . 0 0 "[ . 1 . 2]" 1
154 1 23 LEU MD1 1 24 GLN H 5.000 2.500 6.000 4.458 4.105 4.813 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU MD2 1 24 GLN H 5.000 2.500 6.000 4.660 4.218 4.845 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU H 1 24 GLN H 3.500 . 4.500 2.651 2.531 2.805 . 0 0 "[ . 1 . 2]" 1
157 1 23 LEU H 1 25 SER H 5.000 2.500 6.000 4.171 3.912 4.387 . 0 0 "[ . 1 . 2]" 1
158 1 23 LEU HA 1 26 PHE HB3 3.500 . 4.500 3.150 2.824 3.662 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU HA 1 26 PHE HB2 3.500 . 4.500 3.286 2.970 3.958 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU HA 1 26 PHE QD 5.000 2.500 6.000 4.710 4.468 5.096 . 0 0 "[ . 1 . 2]" 1
161 1 23 LEU HA 1 26 PHE H 3.500 . 4.500 3.455 3.341 3.658 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU QD 1 26 PHE QD 5.000 2.500 6.000 4.410 3.517 5.109 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU QD 1 42 LEU QD 2.000 . 2.800 2.324 1.910 2.800 0.000 19 0 "[ . 1 . 2]" 1
164 1 23 LEU MD1 1 46 LEU QD 2.500 . 3.500 2.439 1.704 3.330 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU MD2 1 46 LEU QD 2.500 . 3.500 2.567 1.588 3.391 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU H 1 46 LEU QD 5.000 2.500 6.000 3.631 3.123 4.457 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU QD 1 53 ILE MG 3.500 . 4.500 2.964 2.655 3.561 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU HA 1 56 PHE QE 5.000 2.500 6.000 4.927 4.217 5.627 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU QB 1 56 PHE QE 3.500 . 4.500 2.591 1.998 3.638 0.002 5 0 "[ . 1 . 2]" 1
170 1 23 LEU QB 1 56 PHE HZ 3.500 . 4.500 3.455 2.825 4.268 . 0 0 "[ . 1 . 2]" 1
171 1 23 LEU QD 1 56 PHE QD 3.500 . 4.500 2.670 1.997 3.264 0.003 20 0 "[ . 1 . 2]" 1
172 1 23 LEU QD 1 56 PHE QE 3.500 . 4.500 2.807 2.246 3.330 . 0 0 "[ . 1 . 2]" 1
173 1 23 LEU QD 1 56 PHE HZ 5.000 2.500 6.000 3.554 2.847 4.211 . 0 0 "[ . 1 . 2]" 1
174 1 23 LEU MD1 1 56 PHE QD 3.500 . 4.500 3.530 2.216 4.504 0.004 17 0 "[ . 1 . 2]" 1
175 1 23 LEU MD1 1 56 PHE QE 3.500 . 4.500 3.529 2.259 4.503 0.003 15 0 "[ . 1 . 2]" 1
176 1 23 LEU MD1 1 56 PHE HZ 5.000 2.500 6.000 4.359 3.134 5.929 . 0 0 "[ . 1 . 2]" 1
177 1 23 LEU MD2 1 56 PHE QD 3.500 . 4.500 3.071 2.000 4.433 0.000 20 0 "[ . 1 . 2]" 1
178 1 23 LEU MD2 1 56 PHE QE 3.500 . 4.500 3.330 2.338 4.310 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU MD2 1 56 PHE HZ 5.000 2.500 6.000 4.452 2.857 5.838 . 0 0 "[ . 1 . 2]" 1
180 1 23 LEU QD 1 57 PHE QD 5.000 2.500 6.000 3.899 3.197 4.646 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU QD 1 57 PHE QE 3.500 . 4.500 2.931 2.079 3.915 . 0 0 "[ . 1 . 2]" 1
182 1 23 LEU QD 1 57 PHE HZ 3.500 . 4.500 3.349 2.393 4.502 0.002 10 0 "[ . 1 . 2]" 1
183 1 24 GLN HA 1 25 SER H 3.500 . 4.500 3.532 3.494 3.562 . 0 0 "[ . 1 . 2]" 1
184 1 24 GLN HB3 1 25 SER H 3.500 . 4.500 3.396 3.107 3.770 . 0 0 "[ . 1 . 2]" 1
185 1 24 GLN HB2 1 25 SER H 3.500 . 4.500 2.771 2.507 2.983 . 0 0 "[ . 1 . 2]" 1
186 1 24 GLN H 1 25 SER HA 5.000 2.500 6.000 5.296 5.166 5.381 . 0 0 "[ . 1 . 2]" 1
187 1 24 GLN H 1 25 SER H 3.500 . 4.500 2.698 2.537 2.808 . 0 0 "[ . 1 . 2]" 1
188 1 24 GLN HA 1 26 PHE H 3.500 . 4.500 4.244 4.074 4.507 0.007 8 0 "[ . 1 . 2]" 1
189 1 24 GLN H 1 26 PHE H 5.000 2.500 6.000 4.119 3.961 4.495 . 0 0 "[ . 1 . 2]" 1
190 1 24 GLN HA 1 27 ILE MD 2.500 . 3.500 2.220 1.931 2.954 . 0 0 "[ . 1 . 2]" 1
191 1 24 GLN HA 1 27 ILE QG 3.500 . 4.500 3.290 2.266 3.932 . 0 0 "[ . 1 . 2]" 1
192 1 24 GLN HA 1 27 ILE H 3.500 . 4.500 3.491 3.308 3.685 . 0 0 "[ . 1 . 2]" 1
193 1 24 GLN H 1 27 ILE MD 5.000 2.500 6.000 4.101 3.355 4.797 . 0 0 "[ . 1 . 2]" 1
194 1 24 GLN HA 1 28 GLN H 5.000 2.500 6.000 4.443 4.090 4.729 . 0 0 "[ . 1 . 2]" 1
195 1 24 GLN HA 1 56 PHE QE 5.000 2.500 6.000 4.464 3.410 5.188 . 0 0 "[ . 1 . 2]" 1
196 1 24 GLN HA 1 56 PHE HZ 5.000 2.500 6.000 5.055 3.826 5.850 . 0 0 "[ . 1 . 2]" 1
197 1 24 GLN QG 1 56 PHE HZ 5.000 2.500 6.000 3.837 2.766 4.531 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLN H 1 56 PHE QE 5.000 2.500 6.000 4.908 4.168 5.747 . 0 0 "[ . 1 . 2]" 1
199 1 24 GLN H 1 56 PHE HZ 5.000 2.500 6.000 5.144 4.084 5.958 . 0 0 "[ . 1 . 2]" 1
200 1 25 SER HB3 1 26 PHE H 3.500 . 4.500 3.735 3.439 4.089 . 0 0 "[ . 1 . 2]" 1
201 1 25 SER HB2 1 26 PHE H 3.500 . 4.500 2.824 2.461 3.031 . 0 0 "[ . 1 . 2]" 1
202 1 25 SER H 1 26 PHE H 2.500 . 3.500 2.639 2.479 2.797 . 0 0 "[ . 1 . 2]" 1
203 1 25 SER H 1 27 ILE H 5.000 2.500 6.000 4.200 3.999 4.495 . 0 0 "[ . 1 . 2]" 1
204 1 25 SER HA 1 28 GLN QB 2.500 . 3.500 2.667 2.160 3.054 . 0 0 "[ . 1 . 2]" 1
205 1 25 SER HA 1 28 GLN QG 3.500 . 4.500 3.728 2.897 4.502 0.002 6 0 "[ . 1 . 2]" 1
206 1 25 SER HA 1 28 GLN H 3.500 . 4.500 3.383 3.213 3.828 . 0 0 "[ . 1 . 2]" 1
207 1 26 PHE HA 1 27 ILE H 3.500 . 4.500 3.519 3.487 3.564 . 0 0 "[ . 1 . 2]" 1
208 1 26 PHE HB3 1 27 ILE H 3.500 . 4.500 2.677 2.293 2.868 . 0 0 "[ . 1 . 2]" 1
209 1 26 PHE HB2 1 27 ILE H 3.500 . 4.500 3.834 3.530 3.961 . 0 0 "[ . 1 . 2]" 1
210 1 26 PHE QD 1 27 ILE HA 3.500 . 4.500 3.369 2.842 4.101 . 0 0 "[ . 1 . 2]" 1
211 1 26 PHE QD 1 27 ILE QG 3.500 . 4.500 3.407 2.935 4.504 0.004 12 0 "[ . 1 . 2]" 1
212 1 26 PHE QD 1 27 ILE H 3.500 . 4.500 3.732 3.304 4.227 . 0 0 "[ . 1 . 2]" 1
213 1 26 PHE QE 1 27 ILE HA 5.000 2.500 6.000 5.002 4.420 5.678 . 0 0 "[ . 1 . 2]" 1
214 1 26 PHE H 1 27 ILE H 3.500 . 4.500 2.628 2.490 2.827 . 0 0 "[ . 1 . 2]" 1
215 1 26 PHE H 1 28 GLN H 3.500 . 4.500 4.024 3.806 4.357 . 0 0 "[ . 1 . 2]" 1
216 1 26 PHE HA 1 29 ASP QB 3.500 . 4.500 2.909 2.533 3.436 . 0 0 "[ . 1 . 2]" 1
217 1 26 PHE HA 1 29 ASP H 3.500 . 4.500 3.460 3.122 3.614 . 0 0 "[ . 1 . 2]" 1
218 1 26 PHE HA 1 30 VAL MG2 3.500 . 4.500 3.049 2.366 4.507 0.007 8 0 "[ . 1 . 2]" 1
219 1 26 PHE HA 1 30 VAL H 3.500 . 4.500 3.156 2.798 3.523 . 0 0 "[ . 1 . 2]" 1
220 1 26 PHE QD 1 30 VAL HB 3.500 . 4.500 3.200 2.711 3.807 . 0 0 "[ . 1 . 2]" 1
221 1 26 PHE QD 1 30 VAL MG1 5.000 2.500 6.000 4.071 3.620 4.748 . 0 0 "[ . 1 . 2]" 1
222 1 26 PHE QD 1 30 VAL MG2 3.500 . 4.500 3.142 2.637 4.015 . 0 0 "[ . 1 . 2]" 1
223 1 26 PHE QD 1 30 VAL H 5.000 2.500 6.000 4.242 3.716 4.540 . 0 0 "[ . 1 . 2]" 1
224 1 26 PHE QE 1 30 VAL HA 5.000 2.500 6.000 5.445 5.133 5.824 . 0 0 "[ . 1 . 2]" 1
225 1 26 PHE QE 1 30 VAL HB 3.500 . 4.500 3.017 2.469 3.598 . 0 0 "[ . 1 . 2]" 1
226 1 26 PHE QE 1 30 VAL MG1 2.500 . 3.500 2.882 2.263 3.507 0.007 8 0 "[ . 1 . 2]" 1
227 1 26 PHE QE 1 30 VAL MG2 3.500 . 4.500 2.877 2.341 3.285 . 0 0 "[ . 1 . 2]" 1
228 1 26 PHE HZ 1 30 VAL MG1 2.500 . 3.500 2.970 2.320 3.499 . 0 0 "[ . 1 . 2]" 1
229 1 26 PHE HZ 1 30 VAL MG2 3.500 . 4.500 3.191 2.574 4.090 . 0 0 "[ . 1 . 2]" 1
230 1 26 PHE QD 1 31 GLY H 5.000 2.500 6.000 3.513 2.881 4.313 . 0 0 "[ . 1 . 2]" 1
231 1 26 PHE QE 1 31 GLY H 5.000 2.500 6.000 4.111 3.374 5.088 . 0 0 "[ . 1 . 2]" 1
232 1 26 PHE QD 1 32 LEU HA 5.000 2.500 6.000 4.989 4.113 6.016 0.016 8 0 "[ . 1 . 2]" 1
233 1 26 PHE QD 1 34 PRO QD 5.000 2.500 6.000 4.731 4.490 5.492 . 0 0 "[ . 1 . 2]" 1
234 1 26 PHE QE 1 34 PRO HA 3.500 . 4.500 3.235 2.704 4.156 . 0 0 "[ . 1 . 2]" 1
235 1 26 PHE QE 1 34 PRO QB 3.500 . 4.500 2.417 2.009 3.229 . 0 0 "[ . 1 . 2]" 1
236 1 26 PHE QE 1 34 PRO QD 5.000 2.500 6.000 3.714 3.070 4.434 . 0 0 "[ . 1 . 2]" 1
237 1 26 PHE HZ 1 34 PRO HA 3.500 . 4.500 3.563 2.290 4.502 0.002 8 0 "[ . 1 . 2]" 1
238 1 26 PHE HZ 1 34 PRO QB 3.500 . 4.500 3.230 2.015 4.215 . 0 0 "[ . 1 . 2]" 1
239 1 26 PHE QE 1 35 ASP H 5.000 2.500 6.000 4.735 4.047 5.691 . 0 0 "[ . 1 . 2]" 1
240 1 26 PHE HZ 1 35 ASP H 5.000 2.500 6.000 4.207 3.230 5.740 . 0 0 "[ . 1 . 2]" 1
241 1 26 PHE QE 1 38 ALA HA 5.000 2.500 6.000 4.531 3.616 5.610 . 0 0 "[ . 1 . 2]" 1
242 1 26 PHE QE 1 38 ALA MB 2.500 . 3.500 2.964 2.013 3.482 . 0 0 "[ . 1 . 2]" 1
243 1 26 PHE HZ 1 38 ALA HA 5.000 2.500 6.000 4.601 3.764 5.336 . 0 0 "[ . 1 . 2]" 1
244 1 26 PHE HZ 1 38 ALA MB 2.500 . 3.500 2.445 1.915 3.351 . 0 0 "[ . 1 . 2]" 1
245 1 26 PHE HB2 1 42 LEU QD 5.000 2.500 6.000 3.249 2.816 3.782 . 0 0 "[ . 1 . 2]" 1
246 1 26 PHE QD 1 42 LEU QD 3.500 . 4.500 2.807 2.136 3.298 . 0 0 "[ . 1 . 2]" 1
247 1 26 PHE QE 1 42 LEU QD 3.500 . 4.500 2.826 2.162 3.547 . 0 0 "[ . 1 . 2]" 1
248 1 26 PHE HZ 1 42 LEU QD 5.000 2.500 6.000 3.532 2.828 4.147 . 0 0 "[ . 1 . 2]" 1
249 1 26 PHE HB3 1 57 PHE HZ 5.000 2.500 6.000 3.087 2.502 3.521 . 0 0 "[ . 1 . 2]" 1
250 1 26 PHE HB2 1 57 PHE HZ 3.500 . 4.500 4.297 3.583 4.502 0.002 4 0 "[ . 1 . 2]" 1
251 1 26 PHE QD 1 57 PHE QE 3.500 . 4.500 2.698 2.080 3.113 . 0 0 "[ . 1 . 2]" 1
252 1 26 PHE QD 1 57 PHE HZ 2.500 . 3.500 2.456 2.005 3.246 . 0 0 "[ . 1 . 2]" 1
253 1 26 PHE QE 1 57 PHE QD 5.000 2.500 6.000 5.191 4.595 5.801 . 0 0 "[ . 1 . 2]" 1
254 1 26 PHE QE 1 57 PHE QE 3.500 . 4.500 3.672 2.573 4.236 . 0 0 "[ . 1 . 2]" 1
255 1 26 PHE QE 1 57 PHE HZ 3.500 . 4.500 3.566 3.098 4.319 . 0 0 "[ . 1 . 2]" 1
256 1 27 ILE HA 1 28 GLN H 3.500 . 4.500 3.500 3.464 3.560 . 0 0 "[ . 1 . 2]" 1
257 1 27 ILE HB 1 28 GLN H 3.500 . 4.500 2.847 2.402 3.867 . 0 0 "[ . 1 . 2]" 1
258 1 27 ILE MG 1 28 GLN H 3.500 . 4.500 3.752 3.492 4.130 . 0 0 "[ . 1 . 2]" 1
259 1 27 ILE H 1 28 GLN H 3.500 . 4.500 2.522 2.398 2.781 . 0 0 "[ . 1 . 2]" 1
260 1 27 ILE HA 1 31 GLY QA 3.500 . 4.500 3.002 1.990 3.765 0.010 6 0 "[ . 1 . 2]" 1
261 1 27 ILE HA 1 31 GLY H 3.500 . 4.500 2.530 2.011 3.378 . 0 0 "[ . 1 . 2]" 1
262 1 27 ILE H 1 31 GLY H 5.000 2.500 6.000 4.555 4.143 4.889 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE HA 1 32 LEU HA 3.500 . 4.500 4.097 3.225 4.527 0.027 6 0 "[ . 1 . 2]" 1
264 1 27 ILE MD 1 32 LEU HA 5.000 2.500 6.000 4.908 4.276 6.006 0.006 8 0 "[ . 1 . 2]" 1
265 1 27 ILE QG 1 32 LEU HA 5.000 2.500 6.000 3.808 3.092 5.723 . 0 0 "[ . 1 . 2]" 1
266 1 27 ILE MG 1 32 LEU HA 5.000 2.500 6.000 3.231 2.547 4.088 . 0 0 "[ . 1 . 2]" 1
267 1 27 ILE MG 1 32 LEU HG 2.500 . 3.500 2.280 1.829 3.442 . 0 0 "[ . 1 . 2]" 1
268 1 27 ILE MD 1 56 PHE QD 3.500 . 4.500 3.798 2.771 4.505 0.005 12 0 "[ . 1 . 2]" 1
269 1 27 ILE MD 1 56 PHE QE 2.500 . 3.500 2.428 1.908 3.094 . 0 0 "[ . 1 . 2]" 1
270 1 27 ILE MD 1 56 PHE HZ 3.500 . 4.500 3.821 3.408 4.220 . 0 0 "[ . 1 . 2]" 1
271 1 27 ILE QG 1 56 PHE QE 5.000 2.500 6.000 3.952 3.306 4.448 . 0 0 "[ . 1 . 2]" 1
272 1 27 ILE HA 1 57 PHE QE 5.000 2.500 6.000 3.593 3.160 4.177 . 0 0 "[ . 1 . 2]" 1
273 1 27 ILE MD 1 57 PHE QD 5.000 2.500 6.000 4.092 3.179 4.853 . 0 0 "[ . 1 . 2]" 1
274 1 27 ILE MD 1 57 PHE QE 3.500 . 4.500 3.703 3.020 4.503 0.003 12 0 "[ . 1 . 2]" 1
275 1 27 ILE MD 1 57 PHE HZ 5.000 2.500 6.000 4.630 4.010 6.003 0.003 12 0 "[ . 1 . 2]" 1
276 1 27 ILE QG 1 57 PHE QD 5.000 2.500 6.000 3.566 3.022 5.597 . 0 0 "[ . 1 . 2]" 1
277 1 27 ILE QG 1 57 PHE QE 3.500 . 4.500 2.500 1.994 4.371 0.006 4 0 "[ . 1 . 2]" 1
278 1 27 ILE QG 1 57 PHE HZ 5.000 2.500 6.000 3.679 2.946 5.550 . 0 0 "[ . 1 . 2]" 1
279 1 27 ILE H 1 57 PHE QE 5.000 2.500 6.000 4.519 4.054 5.102 . 0 0 "[ . 1 . 2]" 1
280 1 27 ILE MD 1 60 GLN QE 5.000 2.500 6.000 3.590 2.518 5.113 . 0 0 "[ . 1 . 2]" 1
281 1 28 GLN HA 1 29 ASP H 2.500 . 3.500 3.480 3.447 3.498 . 0 0 "[ . 1 . 2]" 1
282 1 28 GLN QB 1 29 ASP HA 5.000 2.500 6.000 3.991 3.913 4.068 . 0 0 "[ . 1 . 2]" 1
283 1 28 GLN QB 1 29 ASP H 2.500 . 3.500 2.877 2.778 3.086 . 0 0 "[ . 1 . 2]" 1
284 1 28 GLN H 1 29 ASP HA 5.000 2.500 6.000 5.086 4.973 5.233 . 0 0 "[ . 1 . 2]" 1
285 1 28 GLN H 1 29 ASP H 2.500 . 3.500 2.414 2.288 2.588 . 0 0 "[ . 1 . 2]" 1
286 1 28 GLN H 1 30 VAL H 5.000 2.500 6.000 4.404 3.857 4.951 . 0 0 "[ . 1 . 2]" 1
287 1 28 GLN H 1 31 GLY H 5.000 2.500 6.000 4.755 4.140 5.101 . 0 0 "[ . 1 . 2]" 1
288 1 29 ASP HA 1 30 VAL MG2 5.000 2.500 6.000 4.568 4.051 4.766 . 0 0 "[ . 1 . 2]" 1
289 1 29 ASP HA 1 30 VAL H 3.500 . 4.500 3.561 3.520 3.572 . 0 0 "[ . 1 . 2]" 1
290 1 29 ASP QB 1 30 VAL MG2 2.500 . 3.500 2.599 2.288 2.855 . 0 0 "[ . 1 . 2]" 1
291 1 29 ASP QB 1 30 VAL H 3.500 . 4.500 2.251 2.003 2.733 . 0 0 "[ . 1 . 2]" 1
292 1 29 ASP H 1 30 VAL HB 5.000 2.500 6.000 4.900 4.668 5.450 . 0 0 "[ . 1 . 2]" 1
293 1 29 ASP H 1 30 VAL MG1 5.000 2.500 6.000 5.818 5.670 6.012 0.012 8 0 "[ . 1 . 2]" 1
294 1 29 ASP H 1 30 VAL MG2 5.000 2.500 6.000 4.208 3.961 4.675 . 0 0 "[ . 1 . 2]" 1
295 1 29 ASP H 1 30 VAL H 2.500 . 3.500 2.560 2.254 2.866 . 0 0 "[ . 1 . 2]" 1
296 1 29 ASP QB 1 31 GLY H 5.000 2.500 6.000 4.598 3.501 5.004 . 0 0 "[ . 1 . 2]" 1
297 1 29 ASP H 1 31 GLY H 3.500 . 4.500 4.097 3.289 4.391 . 0 0 "[ . 1 . 2]" 1
298 1 30 VAL HA 1 31 GLY H 3.500 . 4.500 3.563 3.478 3.575 . 0 0 "[ . 1 . 2]" 1
299 1 30 VAL HB 1 31 GLY QA 3.500 . 4.500 3.932 3.847 4.109 . 0 0 "[ . 1 . 2]" 1
300 1 30 VAL HB 1 31 GLY H 2.500 . 3.500 2.116 1.954 2.946 . 0 0 "[ . 1 . 2]" 1
301 1 30 VAL MG1 1 31 GLY H 3.500 . 4.500 3.191 3.000 3.898 . 0 0 "[ . 1 . 2]" 1
302 1 30 VAL MG2 1 31 GLY H 3.500 . 4.500 3.549 3.494 3.774 . 0 0 "[ . 1 . 2]" 1
303 1 30 VAL H 1 31 GLY H 2.500 . 3.500 2.681 1.959 2.942 . 0 0 "[ . 1 . 2]" 1
304 1 30 VAL MG1 1 34 PRO HA 5.000 2.500 6.000 3.560 2.915 4.333 . 0 0 "[ . 1 . 2]" 1
305 1 30 VAL MG2 1 38 ALA MB 5.000 2.500 6.000 4.597 4.025 6.007 0.007 6 0 "[ . 1 . 2]" 1
306 1 30 VAL MG2 1 42 LEU QD 5.000 2.500 6.000 4.603 3.998 5.944 . 0 0 "[ . 1 . 2]" 1
307 1 31 GLY HA3 1 32 LEU H 3.500 . 4.500 2.402 2.162 3.379 . 0 0 "[ . 1 . 2]" 1
308 1 31 GLY HA2 1 32 LEU H 3.500 . 4.500 2.867 2.143 3.458 . 0 0 "[ . 1 . 2]" 1
309 1 31 GLY H 1 32 LEU H 3.500 . 4.500 4.308 3.498 4.500 . 0 0 "[ . 1 . 2]" 1
310 1 31 GLY QA 1 33 TYR H 3.500 . 4.500 3.475 3.148 4.377 . 0 0 "[ . 1 . 2]" 1
311 1 32 LEU HA 1 33 TYR QD 5.000 2.500 6.000 4.697 3.734 5.610 . 0 0 "[ . 1 . 2]" 1
312 1 32 LEU HA 1 33 TYR H 3.500 . 4.500 3.046 2.660 3.570 . 0 0 "[ . 1 . 2]" 1
313 1 32 LEU QB 1 33 TYR QD 3.500 . 4.500 3.215 1.974 3.959 0.026 8 0 "[ . 1 . 2]" 1
314 1 32 LEU QB 1 33 TYR QE 3.500 . 4.500 3.489 2.511 3.968 . 0 0 "[ . 1 . 2]" 1
315 1 32 LEU QB 1 33 TYR H 3.500 . 4.500 3.501 2.209 3.891 . 0 0 "[ . 1 . 2]" 1
316 1 32 LEU QD 1 33 TYR QE 3.500 . 4.500 3.891 2.181 4.502 0.002 7 0 "[ . 1 . 2]" 1
317 1 32 LEU HG 1 33 TYR H 5.000 2.500 6.000 4.954 4.710 5.978 . 0 0 "[ . 1 . 2]" 1
318 1 32 LEU H 1 33 TYR QD 3.500 . 4.500 3.448 2.306 4.556 0.056 8 0 "[ . 1 . 2]" 1
319 1 32 LEU H 1 33 TYR H 3.500 . 4.500 2.568 1.996 3.095 0.004 6 0 "[ . 1 . 2]" 1
320 1 32 LEU HA 1 34 PRO QD 5.000 2.500 6.000 3.313 2.774 4.562 . 0 0 "[ . 1 . 2]" 1
321 1 32 LEU HA 1 57 PHE QD 3.500 . 4.500 2.830 1.999 3.896 0.001 1 0 "[ . 1 . 2]" 1
322 1 32 LEU HA 1 57 PHE QE 3.500 . 4.500 3.254 2.233 4.502 0.002 8 0 "[ . 1 . 2]" 1
323 1 32 LEU QD 1 57 PHE QD 3.500 . 4.500 3.245 1.998 4.475 0.002 18 0 "[ . 1 . 2]" 1
324 1 32 LEU QD 1 60 GLN HB3 3.500 . 4.500 2.703 1.998 3.840 0.002 14 0 "[ . 1 . 2]" 1
325 1 32 LEU QD 1 60 GLN HB2 2.500 . 3.500 2.779 2.069 3.505 0.005 8 0 "[ . 1 . 2]" 1
326 1 32 LEU QD 1 61 ARG HD3 5.000 2.500 6.000 3.749 2.782 5.788 . 0 0 "[ . 1 . 2]" 1
327 1 32 LEU QD 1 61 ARG HD2 5.000 2.500 6.000 3.725 2.490 5.277 0.010 4 0 "[ . 1 . 2]" 1
328 1 32 LEU QD 1 61 ARG QG 2.500 . 3.500 2.172 1.723 3.408 . 0 0 "[ . 1 . 2]" 1
329 1 33 TYR HA 1 34 PRO QD 2.500 . 3.500 2.152 1.989 2.316 . 0 0 "[ . 1 . 2]" 1
330 1 33 TYR HA 1 34 PRO QG 5.000 2.500 6.000 4.020 3.895 4.170 . 0 0 "[ . 1 . 2]" 1
331 1 33 TYR H 1 34 PRO HA 5.000 2.500 6.000 4.483 4.241 5.453 . 0 0 "[ . 1 . 2]" 1
332 1 33 TYR H 1 34 PRO HD3 5.000 2.500 6.000 3.028 2.496 4.449 0.004 14 0 "[ . 1 . 2]" 1
333 1 33 TYR H 1 34 PRO HD2 5.000 2.500 6.000 3.880 3.422 4.970 . 0 0 "[ . 1 . 2]" 1
334 1 33 TYR QE 1 61 ARG HD3 3.500 . 4.500 3.736 2.582 4.507 0.007 19 0 "[ . 1 . 2]" 1
335 1 33 TYR QE 1 61 ARG HD2 3.500 . 4.500 3.839 2.957 4.503 0.003 8 0 "[ . 1 . 2]" 1
336 1 34 PRO HA 1 35 ASP HA 5.000 2.500 6.000 4.412 4.354 4.521 . 0 0 "[ . 1 . 2]" 1
337 1 34 PRO HA 1 35 ASP H 2.000 . 2.800 2.389 2.170 2.663 . 0 0 "[ . 1 . 2]" 1
338 1 34 PRO QB 1 35 ASP H 3.500 . 4.500 2.596 1.998 3.199 0.002 2 0 "[ . 1 . 2]" 1
339 1 34 PRO QD 1 35 ASP H 5.000 2.500 6.000 4.922 4.709 5.006 . 0 0 "[ . 1 . 2]" 1
340 1 34 PRO HA 1 38 ALA MB 3.500 . 4.500 3.147 2.578 3.679 . 0 0 "[ . 1 . 2]" 1
341 1 34 PRO QB 1 39 ILE QG 2.500 . 3.500 2.733 2.174 3.330 . 0 0 "[ . 1 . 2]" 1
342 1 34 PRO QG 1 39 ILE MD 3.500 . 4.500 2.809 1.996 3.220 0.004 20 0 "[ . 1 . 2]" 1
343 1 34 PRO QG 1 39 ILE QG 3.500 . 4.500 3.104 2.323 4.025 . 0 0 "[ . 1 . 2]" 1
344 1 34 PRO HG3 1 39 ILE MD 3.500 . 4.500 3.860 2.703 4.501 0.001 14 0 "[ . 1 . 2]" 1
345 1 34 PRO HG2 1 39 ILE MD 3.500 . 4.500 2.893 2.035 3.352 . 0 0 "[ . 1 . 2]" 1
346 1 34 PRO QD 1 57 PHE QD 5.000 2.500 6.000 3.175 2.497 3.961 0.003 11 0 "[ . 1 . 2]" 1
347 1 34 PRO QD 1 57 PHE QE 5.000 2.500 6.000 3.523 2.838 4.325 . 0 0 "[ . 1 . 2]" 1
348 1 34 PRO QG 1 57 PHE QD 3.500 . 4.500 3.085 2.561 3.700 . 0 0 "[ . 1 . 2]" 1
349 1 35 ASP HA 1 36 GLU HA 3.500 . 4.500 4.301 4.293 4.313 . 0 0 "[ . 1 . 2]" 1
350 1 35 ASP HA 1 36 GLU H 2.500 . 3.500 2.514 2.359 2.638 . 0 0 "[ . 1 . 2]" 1
351 1 35 ASP QB 1 36 GLU H 2.500 . 3.500 2.420 1.973 3.308 . 0 0 "[ . 1 . 2]" 1
352 1 35 ASP HA 1 37 GLU H 5.000 2.500 6.000 4.414 4.110 4.882 . 0 0 "[ . 1 . 2]" 1
353 1 35 ASP QB 1 37 GLU H 3.500 . 4.500 2.629 2.291 3.009 . 0 0 "[ . 1 . 2]" 1
354 1 35 ASP HA 1 38 ALA MB 5.000 2.500 6.000 4.140 3.878 4.470 . 0 0 "[ . 1 . 2]" 1
355 1 35 ASP HA 1 38 ALA H 5.000 2.500 6.000 4.487 4.367 4.600 . 0 0 "[ . 1 . 2]" 1
356 1 35 ASP QB 1 38 ALA H 5.000 2.500 6.000 2.929 2.497 4.103 0.003 5 0 "[ . 1 . 2]" 1
357 1 35 ASP H 1 38 ALA MB 2.500 . 3.500 2.006 1.830 2.518 . 0 0 "[ . 1 . 2]" 1
358 1 35 ASP HA 1 39 ILE H 5.000 2.500 6.000 5.171 4.789 5.564 . 0 0 "[ . 1 . 2]" 1
359 1 36 GLU HA 1 37 GLU H 3.500 . 4.500 3.514 3.475 3.565 . 0 0 "[ . 1 . 2]" 1
360 1 36 GLU HB2 1 37 GLU H 2.500 . 3.500 2.838 2.352 3.142 . 0 0 "[ . 1 . 2]" 1
361 1 36 GLU H 1 37 GLU H 3.500 . 4.500 2.738 2.664 2.862 . 0 0 "[ . 1 . 2]" 1
362 1 36 GLU HA 1 38 ALA H 5.000 2.500 6.000 4.231 4.080 4.441 . 0 0 "[ . 1 . 2]" 1
363 1 36 GLU H 1 38 ALA H 3.500 . 4.500 4.086 3.924 4.311 . 0 0 "[ . 1 . 2]" 1
364 1 36 GLU HA 1 39 ILE HB 3.500 . 4.500 3.306 2.851 3.790 . 0 0 "[ . 1 . 2]" 1
365 1 36 GLU HA 1 39 ILE MD 3.500 . 4.500 3.228 2.186 4.501 0.001 6 0 "[ . 1 . 2]" 1
366 1 36 GLU HA 1 39 ILE QG 5.000 2.500 6.000 3.371 2.683 3.909 . 0 0 "[ . 1 . 2]" 1
367 1 36 GLU HA 1 39 ILE H 3.500 . 4.500 3.612 3.365 3.790 . 0 0 "[ . 1 . 2]" 1
368 1 36 GLU HA 1 40 GLN H 5.000 2.500 6.000 4.343 3.882 4.748 . 0 0 "[ . 1 . 2]" 1
369 1 36 GLU QG 1 40 GLN QE 5.000 2.500 6.000 5.243 3.959 6.001 0.001 9 0 "[ . 1 . 2]" 1
370 1 37 GLU HA 1 38 ALA H 3.500 . 4.500 3.494 3.482 3.524 . 0 0 "[ . 1 . 2]" 1
371 1 37 GLU QB 1 38 ALA H 3.500 . 4.500 2.850 2.647 3.524 . 0 0 "[ . 1 . 2]" 1
372 1 37 GLU QG 1 38 ALA H 3.500 . 4.500 4.228 2.261 4.499 . 0 0 "[ . 1 . 2]" 1
373 1 37 GLU H 1 38 ALA H 2.500 . 3.500 2.503 2.372 2.639 . 0 0 "[ . 1 . 2]" 1
374 1 37 GLU HA 1 40 GLN QB 2.500 . 3.500 2.695 2.381 3.111 . 0 0 "[ . 1 . 2]" 1
375 1 37 GLU HA 1 40 GLN QG 3.500 . 4.500 3.800 2.336 4.504 0.004 17 0 "[ . 1 . 2]" 1
376 1 37 GLU HA 1 40 GLN H 3.500 . 4.500 3.511 3.249 3.845 . 0 0 "[ . 1 . 2]" 1
377 1 37 GLU HA 1 41 THR H 5.000 2.500 6.000 4.195 3.673 4.601 . 0 0 "[ . 1 . 2]" 1
378 1 38 ALA HA 1 39 ILE H 3.500 . 4.500 3.535 3.504 3.572 . 0 0 "[ . 1 . 2]" 1
379 1 38 ALA MB 1 39 ILE H 2.500 . 3.500 2.574 2.219 2.743 . 0 0 "[ . 1 . 2]" 1
380 1 38 ALA H 1 39 ILE HA 5.000 2.500 6.000 5.214 5.092 5.308 . 0 0 "[ . 1 . 2]" 1
381 1 38 ALA H 1 39 ILE H 2.500 . 3.500 2.589 2.441 2.737 . 0 0 "[ . 1 . 2]" 1
382 1 38 ALA HA 1 40 GLN H 5.000 2.500 6.000 4.324 4.041 4.626 . 0 0 "[ . 1 . 2]" 1
383 1 38 ALA H 1 40 GLN H 3.500 . 4.500 3.976 3.753 4.238 . 0 0 "[ . 1 . 2]" 1
384 1 38 ALA HA 1 41 THR HB 2.500 . 3.500 3.309 2.853 3.517 0.017 17 0 "[ . 1 . 2]" 1
385 1 38 ALA HA 1 41 THR H 3.500 . 4.500 3.618 3.369 3.942 . 0 0 "[ . 1 . 2]" 1
386 1 38 ALA HA 1 42 LEU H 5.000 2.500 6.000 4.038 3.442 4.391 . 0 0 "[ . 1 . 2]" 1
387 1 38 ALA MB 1 42 LEU QD 3.500 . 4.500 2.643 2.004 3.135 . 0 0 "[ . 1 . 2]" 1
388 1 39 ILE HA 1 40 GLN H 3.500 . 4.500 3.509 3.452 3.554 . 0 0 "[ . 1 . 2]" 1
389 1 39 ILE HB 1 40 GLN H 2.500 . 3.500 2.765 2.480 3.040 . 0 0 "[ . 1 . 2]" 1
390 1 39 ILE MD 1 40 GLN H 5.000 2.500 6.000 4.613 4.342 4.847 . 0 0 "[ . 1 . 2]" 1
391 1 39 ILE QG 1 40 GLN H 5.000 2.500 6.000 3.915 3.771 4.030 . 0 0 "[ . 1 . 2]" 1
392 1 39 ILE MG 1 40 GLN HA 3.500 . 4.500 3.774 3.632 3.854 . 0 0 "[ . 1 . 2]" 1
393 1 39 ILE MG 1 40 GLN H 3.500 . 4.500 3.721 3.526 3.869 . 0 0 "[ . 1 . 2]" 1
394 1 39 ILE H 1 40 GLN H 2.500 . 3.500 2.570 2.427 2.702 . 0 0 "[ . 1 . 2]" 1
395 1 39 ILE HA 1 41 THR H 5.000 2.500 6.000 4.450 4.104 4.889 . 0 0 "[ . 1 . 2]" 1
396 1 39 ILE H 1 41 THR H 5.000 2.500 6.000 4.202 3.943 4.520 . 0 0 "[ . 1 . 2]" 1
397 1 39 ILE HA 1 42 LEU HB3 3.500 . 4.500 4.011 3.470 4.468 . 0 0 "[ . 1 . 2]" 1
398 1 39 ILE HA 1 42 LEU HB2 3.500 . 4.500 2.579 2.192 3.018 . 0 0 "[ . 1 . 2]" 1
399 1 39 ILE HA 1 42 LEU QD 3.500 . 4.500 3.006 2.355 3.746 . 0 0 "[ . 1 . 2]" 1
400 1 39 ILE HA 1 42 LEU H 3.500 . 4.500 3.533 3.211 3.909 . 0 0 "[ . 1 . 2]" 1
401 1 39 ILE HA 1 43 SER H 5.000 2.500 6.000 3.871 3.425 4.265 . 0 0 "[ . 1 . 2]" 1
402 1 39 ILE MG 1 50 LYS HA 3.500 . 4.500 2.878 2.477 3.210 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE MG 1 50 LYS HB3 2.500 . 3.500 3.212 2.724 3.501 0.001 19 0 "[ . 1 . 2]" 1
404 1 39 ILE MG 1 50 LYS HB2 5.000 2.500 6.000 4.349 3.914 4.686 . 0 0 "[ . 1 . 2]" 1
405 1 39 ILE MG 1 50 LYS QE 3.500 . 4.500 3.973 2.228 4.501 0.001 8 0 "[ . 1 . 2]" 1
406 1 39 ILE MG 1 50 LYS QG 2.500 . 3.500 2.370 1.909 3.238 . 0 0 "[ . 1 . 2]" 1
407 1 39 ILE MG 1 50 LYS H 5.000 2.500 6.000 5.099 4.715 5.441 . 0 0 "[ . 1 . 2]" 1
408 1 39 ILE HA 1 53 ILE MD 5.000 2.500 6.000 3.255 2.499 4.748 0.001 7 0 "[ . 1 . 2]" 1
409 1 39 ILE HA 1 53 ILE MG 3.500 . 4.500 2.989 2.433 3.502 . 0 0 "[ . 1 . 2]" 1
410 1 39 ILE MD 1 53 ILE MG 2.500 . 3.500 3.185 1.938 3.502 0.002 17 0 "[ . 1 . 2]" 1
411 1 39 ILE MG 1 53 ILE HB 3.500 . 4.500 2.299 1.999 2.976 0.001 14 0 "[ . 1 . 2]" 1
412 1 39 ILE MG 1 53 ILE MG 2.500 . 3.500 2.555 2.021 3.362 . 0 0 "[ . 1 . 2]" 1
413 1 39 ILE MG 1 53 ILE H 5.000 2.500 6.000 4.163 3.892 4.732 . 0 0 "[ . 1 . 2]" 1
414 1 39 ILE MD 1 54 ILE HA 3.500 . 4.500 3.834 3.109 4.451 . 0 0 "[ . 1 . 2]" 1
415 1 39 ILE MD 1 54 ILE QG 3.500 . 4.500 2.702 2.270 3.898 . 0 0 "[ . 1 . 2]" 1
416 1 39 ILE MD 1 54 ILE MG 3.500 . 4.500 3.962 3.633 4.496 . 0 0 "[ . 1 . 2]" 1
417 1 39 ILE MD 1 54 ILE H 5.000 2.500 6.000 4.509 3.706 4.964 . 0 0 "[ . 1 . 2]" 1
418 1 39 ILE MG 1 54 ILE QG 3.500 . 4.500 2.928 2.393 3.945 . 0 0 "[ . 1 . 2]" 1
419 1 39 ILE MD 1 57 PHE QD 5.000 2.500 6.000 4.464 3.107 5.707 . 0 0 "[ . 1 . 2]" 1
420 1 40 GLN HA 1 41 THR H 3.500 . 4.500 3.534 3.488 3.568 . 0 0 "[ . 1 . 2]" 1
421 1 40 GLN QB 1 41 THR H 2.500 . 3.500 2.612 2.280 2.898 . 0 0 "[ . 1 . 2]" 1
422 1 40 GLN QG 1 41 THR H 5.000 2.500 6.000 4.206 3.629 4.515 . 0 0 "[ . 1 . 2]" 1
423 1 40 GLN H 1 41 THR H 3.500 . 4.500 2.612 2.275 2.752 . 0 0 "[ . 1 . 2]" 1
424 1 40 GLN HA 1 42 LEU H 5.000 2.500 6.000 4.550 4.179 5.010 . 0 0 "[ . 1 . 2]" 1
425 1 40 GLN H 1 42 LEU H 5.000 2.500 6.000 4.046 3.814 4.391 . 0 0 "[ . 1 . 2]" 1
426 1 40 GLN HA 1 43 SER H 3.500 . 4.500 3.700 3.476 3.908 . 0 0 "[ . 1 . 2]" 1
427 1 40 GLN HA 1 44 ALA H 3.500 . 4.500 4.297 3.912 4.501 0.001 18 0 "[ . 1 . 2]" 1
428 1 40 GLN HA 1 50 LYS QD 3.500 . 4.500 4.079 3.484 4.502 0.002 20 0 "[ . 1 . 2]" 1
429 1 40 GLN HA 1 50 LYS QE 3.500 . 4.500 3.661 2.489 4.471 . 0 0 "[ . 1 . 2]" 1
430 1 40 GLN HA 1 50 LYS QG 3.500 . 4.500 3.744 3.385 4.375 . 0 0 "[ . 1 . 2]" 1
431 1 40 GLN QE 1 50 LYS QE 5.000 2.500 6.000 4.150 2.554 6.000 . 5 0 "[ . 1 . 2]" 1
432 1 41 THR HA 1 42 LEU H 3.500 . 4.500 3.528 3.483 3.570 . 0 0 "[ . 1 . 2]" 1
433 1 41 THR HB 1 42 LEU H 3.500 . 4.500 2.695 2.257 3.942 . 0 0 "[ . 1 . 2]" 1
434 1 41 THR MG 1 42 LEU H 3.500 . 4.500 3.627 1.997 3.974 0.003 17 0 "[ . 1 . 2]" 1
435 1 41 THR H 1 43 SER H 5.000 2.500 6.000 4.023 3.805 4.204 . 0 0 "[ . 1 . 2]" 1
436 1 41 THR HA 1 44 ALA MB 2.500 . 3.500 2.980 2.466 3.501 0.001 6 0 "[ . 1 . 2]" 1
437 1 41 THR HA 1 44 ALA H 3.500 . 4.500 3.626 3.428 3.810 . 0 0 "[ . 1 . 2]" 1
438 1 41 THR MG 1 45 GLN QE 5.000 2.500 6.000 4.600 3.317 5.804 . 0 0 "[ . 1 . 2]" 1
439 1 42 LEU HA 1 43 SER H 3.500 . 4.500 3.519 3.492 3.550 . 0 0 "[ . 1 . 2]" 1
440 1 42 LEU HB3 1 43 SER HA 5.000 2.500 6.000 4.102 3.917 4.312 . 0 0 "[ . 1 . 2]" 1
441 1 42 LEU HB3 1 43 SER H 3.500 . 4.500 3.391 3.049 3.687 . 0 0 "[ . 1 . 2]" 1
442 1 42 LEU QD 1 43 SER H 5.000 2.500 6.000 4.086 3.894 4.232 . 0 0 "[ . 1 . 2]" 1
443 1 42 LEU H 1 43 SER H 2.500 . 3.500 2.596 2.444 2.767 . 0 0 "[ . 1 . 2]" 1
444 1 42 LEU HA 1 45 GLN QB 2.500 . 3.500 2.693 2.101 3.039 . 0 0 "[ . 1 . 2]" 1
445 1 42 LEU HA 1 45 GLN H 3.500 . 4.500 3.542 3.115 3.879 . 0 0 "[ . 1 . 2]" 1
446 1 42 LEU HA 1 46 LEU QD 3.500 . 4.500 3.325 2.522 3.965 . 0 0 "[ . 1 . 2]" 1
447 1 42 LEU HB3 1 46 LEU QD 3.500 . 4.500 2.570 2.056 2.989 . 0 0 "[ . 1 . 2]" 1
448 1 42 LEU QD 1 46 LEU QD 3.500 . 4.500 2.257 1.998 2.877 0.002 8 0 "[ . 1 . 2]" 1
449 1 42 LEU HB3 1 53 ILE MD 2.500 . 3.500 2.534 2.049 2.988 . 0 0 "[ . 1 . 2]" 1
450 1 42 LEU HB2 1 53 ILE MD 3.500 . 4.500 2.935 2.307 3.621 . 0 0 "[ . 1 . 2]" 1
451 1 42 LEU HB2 1 53 ILE MG 3.500 . 4.500 3.384 2.416 3.811 . 0 0 "[ . 1 . 2]" 1
452 1 42 LEU QD 1 53 ILE MD 2.500 . 3.500 3.137 2.847 3.445 . 0 0 "[ . 1 . 2]" 1
453 1 42 LEU QD 1 53 ILE MG 2.500 . 3.500 2.763 2.276 3.504 0.004 8 0 "[ . 1 . 2]" 1
454 1 42 LEU QD 1 57 PHE QE 2.500 . 3.500 2.816 1.956 3.324 . 0 0 "[ . 1 . 2]" 1
455 1 42 LEU QD 1 57 PHE HZ 5.000 2.500 6.000 3.085 2.501 3.527 . 0 0 "[ . 1 . 2]" 1
456 1 42 LEU MD1 1 57 PHE HZ 3.500 . 4.500 3.627 2.517 4.503 0.003 17 0 "[ . 1 . 2]" 1
457 1 42 LEU MD2 1 57 PHE HZ 3.500 . 4.500 3.789 2.717 4.502 0.002 1 0 "[ . 1 . 2]" 1
458 1 43 SER HA 1 44 ALA H 3.500 . 4.500 3.540 3.489 3.567 . 0 0 "[ . 1 . 2]" 1
459 1 43 SER QB 1 44 ALA H 2.500 . 3.500 2.844 2.386 3.437 . 0 0 "[ . 1 . 2]" 1
460 1 43 SER HB3 1 44 ALA H 3.500 . 4.500 3.241 2.414 4.047 . 0 0 "[ . 1 . 2]" 1
461 1 43 SER HB2 1 44 ALA H 3.500 . 4.500 3.460 2.503 4.185 . 0 0 "[ . 1 . 2]" 1
462 1 43 SER H 1 44 ALA MB 3.500 . 4.500 4.332 4.177 4.501 0.001 6 0 "[ . 1 . 2]" 1
463 1 43 SER H 1 44 ALA H 3.500 . 4.500 2.677 2.485 2.835 . 0 0 "[ . 1 . 2]" 1
464 1 43 SER H 1 45 GLN H 5.000 2.500 6.000 4.079 3.814 4.359 . 0 0 "[ . 1 . 2]" 1
465 1 43 SER HA 1 46 LEU HB2 5.000 2.500 6.000 3.407 2.839 3.736 . 0 0 "[ . 1 . 2]" 1
466 1 43 SER HA 1 46 LEU QD 3.500 . 4.500 3.960 3.447 4.437 . 0 0 "[ . 1 . 2]" 1
467 1 43 SER HA 1 46 LEU H 5.000 2.500 6.000 3.947 3.672 4.196 . 0 0 "[ . 1 . 2]" 1
468 1 43 SER HA 1 47 ASP H 5.000 2.500 6.000 3.999 3.673 4.611 . 0 0 "[ . 1 . 2]" 1
469 1 43 SER HA 1 48 LEU HA 5.000 2.500 6.000 5.064 4.805 5.468 . 0 0 "[ . 1 . 2]" 1
470 1 43 SER HA 1 48 LEU HB2 3.500 . 4.500 3.514 3.141 4.077 . 0 0 "[ . 1 . 2]" 1
471 1 43 SER HA 1 48 LEU H 3.500 . 4.500 2.831 2.499 3.143 . 0 0 "[ . 1 . 2]" 1
472 1 43 SER QB 1 48 LEU H 5.000 2.500 6.000 4.120 3.319 4.758 . 0 0 "[ . 1 . 2]" 1
473 1 43 SER QB 1 50 LYS HA 3.500 . 4.500 3.344 2.575 4.198 . 0 0 "[ . 1 . 2]" 1
474 1 43 SER QB 1 50 LYS QG 5.000 2.500 6.000 2.976 2.500 3.603 0.000 5 0 "[ . 1 . 2]" 1
475 1 43 SER HA 1 53 ILE MD 2.500 . 3.500 2.443 1.914 3.191 . 0 0 "[ . 1 . 2]" 1
476 1 43 SER HA 1 53 ILE QG 5.000 2.500 6.000 3.674 2.843 4.304 . 0 0 "[ . 1 . 2]" 1
477 1 43 SER HB3 1 53 ILE MD 3.500 . 4.500 3.485 2.118 4.502 0.002 20 0 "[ . 1 . 2]" 1
478 1 43 SER HB2 1 53 ILE MD 3.500 . 4.500 3.311 2.044 4.503 0.003 1 0 "[ . 1 . 2]" 1
479 1 43 SER H 1 53 ILE MD 3.500 . 4.500 3.162 2.487 4.019 . 0 0 "[ . 1 . 2]" 1
480 1 44 ALA HA 1 45 GLN H 3.500 . 4.500 3.532 3.492 3.567 . 0 0 "[ . 1 . 2]" 1
481 1 44 ALA MB 1 45 GLN H 2.500 . 3.500 2.605 2.367 2.810 . 0 0 "[ . 1 . 2]" 1
482 1 44 ALA H 1 45 GLN H 2.500 . 3.500 2.575 2.309 2.777 . 0 0 "[ . 1 . 2]" 1
483 1 44 ALA H 1 46 LEU H 5.000 2.500 6.000 4.283 3.706 4.617 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLN HA 1 46 LEU H 3.500 . 4.500 3.550 3.490 3.571 . 0 0 "[ . 1 . 2]" 1
485 1 45 GLN QB 1 46 LEU QD 5.000 2.500 6.000 3.398 2.497 3.759 0.003 7 0 "[ . 1 . 2]" 1
486 1 45 GLN QB 1 46 LEU HG 3.500 . 4.500 3.091 2.410 4.320 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLN QB 1 46 LEU H 2.500 . 3.500 2.343 2.056 2.801 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLN H 1 46 LEU H 2.500 . 3.500 2.722 2.463 2.920 . 0 0 "[ . 1 . 2]" 1
489 1 45 GLN H 1 47 ASP H 5.000 2.500 6.000 3.653 3.453 3.887 . 0 0 "[ . 1 . 2]" 1
490 1 46 LEU HA 1 47 ASP H 3.500 . 4.500 3.385 3.227 3.436 . 0 0 "[ . 1 . 2]" 1
491 1 46 LEU HB3 1 47 ASP H 5.000 2.500 6.000 4.061 3.868 4.443 . 0 0 "[ . 1 . 2]" 1
492 1 46 LEU HB2 1 47 ASP H 3.500 . 4.500 3.292 3.119 3.667 . 0 0 "[ . 1 . 2]" 1
493 1 46 LEU MD1 1 47 ASP H 5.000 2.500 6.000 4.852 4.381 5.246 . 0 0 "[ . 1 . 2]" 1
494 1 46 LEU MD2 1 47 ASP H 5.000 2.500 6.000 4.887 4.679 5.259 . 0 0 "[ . 1 . 2]" 1
495 1 46 LEU H 1 47 ASP H 2.500 . 3.500 2.474 2.218 2.599 . 0 0 "[ . 1 . 2]" 1
496 1 46 LEU HB3 1 48 LEU H 5.000 2.500 6.000 3.858 3.530 4.835 . 0 0 "[ . 1 . 2]" 1
497 1 46 LEU HB2 1 48 LEU HB2 2.500 . 3.500 2.979 2.557 3.340 . 0 0 "[ . 1 . 2]" 1
498 1 46 LEU H 1 48 LEU H 5.000 2.500 6.000 3.987 3.486 4.724 . 0 0 "[ . 1 . 2]" 1
499 1 46 LEU QD 1 53 ILE MG 3.500 . 4.500 3.981 3.225 4.388 . 0 0 "[ . 1 . 2]" 1
500 1 47 ASP HA 1 48 LEU H 2.500 . 3.500 2.863 2.476 2.932 . 0 0 "[ . 1 . 2]" 1
501 1 47 ASP HB3 1 48 LEU H 5.000 2.500 6.000 4.301 4.107 4.517 . 0 0 "[ . 1 . 2]" 1
502 1 47 ASP HB2 1 48 LEU H 5.000 2.500 6.000 4.314 4.083 4.594 . 0 0 "[ . 1 . 2]" 1
503 1 47 ASP H 1 48 LEU HA 5.000 2.500 6.000 5.249 5.189 5.385 . 0 0 "[ . 1 . 2]" 1
504 1 47 ASP H 1 48 LEU H 2.500 . 3.500 2.619 2.536 2.926 . 0 0 "[ . 1 . 2]" 1
505 1 48 LEU HA 1 49 PRO QB 5.000 2.500 6.000 4.726 4.628 4.767 . 0 0 "[ . 1 . 2]" 1
506 1 48 LEU HA 1 49 PRO HD3 2.500 . 3.500 2.146 1.981 2.603 . 0 0 "[ . 1 . 2]" 1
507 1 48 LEU HA 1 49 PRO HD2 2.500 . 3.500 2.567 2.075 2.748 . 0 0 "[ . 1 . 2]" 1
508 1 48 LEU HA 1 49 PRO QG 3.500 . 4.500 3.886 3.840 3.988 . 0 0 "[ . 1 . 2]" 1
509 1 48 LEU HB3 1 49 PRO QD 5.000 2.500 6.000 2.537 2.493 2.786 0.007 3 0 "[ . 1 . 2]" 1
510 1 48 LEU HB3 1 49 PRO HD3 3.500 . 4.500 3.676 3.498 4.037 . 0 0 "[ . 1 . 2]" 1
511 1 48 LEU HB3 1 49 PRO HD2 3.500 . 4.500 2.590 2.518 2.867 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU QD 1 49 PRO QD 2.500 . 3.500 1.939 1.739 2.566 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU HG 1 49 PRO QD 5.000 2.500 6.000 3.795 3.263 4.284 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU H 1 49 PRO QD 5.000 2.500 6.000 4.370 4.303 4.404 . 0 0 "[ . 1 . 2]" 1
515 1 48 LEU HA 1 52 THR HB 5.000 2.500 6.000 5.048 4.426 5.483 . 0 0 "[ . 1 . 2]" 1
516 1 48 LEU HB3 1 52 THR HB 3.500 . 4.500 2.858 2.158 3.531 . 0 0 "[ . 1 . 2]" 1
517 1 48 LEU QD 1 52 THR MG 2.500 . 3.500 2.331 1.952 2.859 . 0 0 "[ . 1 . 2]" 1
518 1 48 LEU MD1 1 52 THR MG 2.500 . 3.500 2.867 2.170 3.419 . 0 0 "[ . 1 . 2]" 1
519 1 48 LEU MD2 1 52 THR MG 2.500 . 3.500 2.582 1.968 3.506 0.006 11 0 "[ . 1 . 2]" 1
520 1 48 LEU H 1 53 ILE MD 5.000 2.500 6.000 4.325 3.758 4.734 . 0 0 "[ . 1 . 2]" 1
521 1 49 PRO HA 1 50 LYS HA 3.500 . 4.500 4.335 4.317 4.363 . 0 0 "[ . 1 . 2]" 1
522 1 49 PRO HA 1 50 LYS H 2.500 . 3.500 2.457 2.256 2.580 . 0 0 "[ . 1 . 2]" 1
523 1 49 PRO HB3 1 50 LYS H 3.500 . 4.500 2.840 2.534 3.624 . 0 0 "[ . 1 . 2]" 1
524 1 49 PRO QD 1 50 LYS H 5.000 2.500 6.000 4.918 4.834 5.013 . 0 0 "[ . 1 . 2]" 1
525 1 49 PRO HB2 1 50 LYS H 3.500 . 4.500 2.965 2.275 3.570 . 0 0 "[ . 1 . 2]" 1
526 1 49 PRO QG 1 50 LYS H 5.000 2.500 6.000 4.286 4.007 4.507 . 0 0 "[ . 1 . 2]" 1
527 1 49 PRO QB 1 51 TYR QD 5.000 2.500 6.000 3.050 2.681 3.650 . 0 0 "[ . 1 . 2]" 1
528 1 49 PRO QB 1 51 TYR QE 5.000 2.500 6.000 2.703 2.494 5.652 0.006 10 0 "[ . 1 . 2]" 1
529 1 49 PRO QB 1 51 TYR H 3.500 . 4.500 2.984 2.510 3.279 . 0 0 "[ . 1 . 2]" 1
530 1 49 PRO QD 1 51 TYR QE 5.000 2.500 6.000 4.484 3.830 5.974 . 0 0 "[ . 1 . 2]" 1
531 1 49 PRO QG 1 51 TYR QD 5.000 2.500 6.000 4.125 2.806 4.654 . 0 0 "[ . 1 . 2]" 1
532 1 49 PRO QG 1 51 TYR QE 3.500 . 4.500 3.024 2.370 4.509 0.009 15 0 "[ . 1 . 2]" 1
533 1 49 PRO HA 1 52 THR H 5.000 2.500 6.000 4.816 4.564 5.081 . 0 0 "[ . 1 . 2]" 1
534 1 49 PRO QB 1 52 THR H 3.500 . 4.500 2.555 2.253 3.331 . 0 0 "[ . 1 . 2]" 1
535 1 49 PRO QD 1 52 THR HB 3.500 . 4.500 3.354 2.705 4.177 . 0 0 "[ . 1 . 2]" 1
536 1 49 PRO QD 1 52 THR H 5.000 2.500 6.000 4.432 4.043 5.040 . 0 0 "[ . 1 . 2]" 1
537 1 49 PRO QG 1 52 THR H 5.000 2.500 6.000 3.956 2.949 4.377 . 0 0 "[ . 1 . 2]" 1
538 1 50 LYS HA 1 51 TYR H 3.500 . 4.500 3.544 3.509 3.568 . 0 0 "[ . 1 . 2]" 1
539 1 50 LYS HB3 1 51 TYR H 2.500 . 3.500 3.259 2.990 3.511 0.011 15 0 "[ . 1 . 2]" 1
540 1 50 LYS HB2 1 51 TYR H 3.500 . 4.500 2.740 2.501 3.031 . 0 0 "[ . 1 . 2]" 1
541 1 50 LYS H 1 51 TYR QD 5.000 2.500 6.000 3.905 3.466 6.001 0.001 15 0 "[ . 1 . 2]" 1
542 1 50 LYS H 1 51 TYR H 3.500 . 4.500 2.473 2.237 2.729 . 0 0 "[ . 1 . 2]" 1
543 1 50 LYS HA 1 52 THR H 5.000 2.500 6.000 4.028 3.713 4.208 . 0 0 "[ . 1 . 2]" 1
544 1 50 LYS H 1 52 THR H 5.000 2.500 6.000 3.854 3.608 4.227 . 0 0 "[ . 1 . 2]" 1
545 1 50 LYS HA 1 53 ILE HB 3.500 . 4.500 3.512 2.891 3.988 . 0 0 "[ . 1 . 2]" 1
546 1 50 LYS HA 1 53 ILE MD 3.500 . 4.500 3.171 2.250 4.489 . 0 0 "[ . 1 . 2]" 1
547 1 50 LYS HA 1 53 ILE QG 3.500 . 4.500 3.038 2.627 3.787 . 0 0 "[ . 1 . 2]" 1
548 1 50 LYS HA 1 53 ILE H 3.500 . 4.500 3.452 3.042 3.689 . 0 0 "[ . 1 . 2]" 1
549 1 50 LYS HB3 1 54 ILE MD 2.500 . 3.500 2.862 1.898 3.499 . 0 0 "[ . 1 . 2]" 1
550 1 51 TYR HA 1 52 THR H 3.500 . 4.500 3.488 3.442 3.511 . 0 0 "[ . 1 . 2]" 1
551 1 51 TYR QB 1 52 THR H 3.500 . 4.500 3.511 3.050 3.656 . 0 0 "[ . 1 . 2]" 1
552 1 51 TYR QD 1 52 THR HA 3.500 . 4.500 2.798 2.530 3.591 . 0 0 "[ . 1 . 2]" 1
553 1 51 TYR QD 1 52 THR H 3.500 . 4.500 2.991 2.764 3.268 . 0 0 "[ . 1 . 2]" 1
554 1 51 TYR H 1 52 THR H 3.500 . 4.500 2.696 2.603 2.843 . 0 0 "[ . 1 . 2]" 1
555 1 51 TYR HA 1 53 ILE H 5.000 2.500 6.000 4.222 3.983 4.620 . 0 0 "[ . 1 . 2]" 1
556 1 51 TYR H 1 53 ILE H 5.000 2.500 6.000 4.326 4.173 4.579 . 0 0 "[ . 1 . 2]" 1
557 1 51 TYR HA 1 54 ILE HB 2.500 . 3.500 2.822 2.445 3.400 . 0 0 "[ . 1 . 2]" 1
558 1 51 TYR HA 1 54 ILE MD 2.500 . 3.500 2.331 1.955 3.517 0.017 5 0 "[ . 1 . 2]" 1
559 1 51 TYR HA 1 54 ILE QG 3.500 . 4.500 3.142 1.986 3.774 0.014 5 0 "[ . 1 . 2]" 1
560 1 51 TYR HA 1 54 ILE MG 3.500 . 4.500 4.170 3.837 4.417 . 0 0 "[ . 1 . 2]" 1
561 1 51 TYR HA 1 54 ILE H 3.500 . 4.500 3.335 3.093 3.619 . 0 0 "[ . 1 . 2]" 1
562 1 51 TYR QB 1 54 ILE HB 5.000 2.500 6.000 4.172 3.742 4.858 . 0 0 "[ . 1 . 2]" 1
563 1 51 TYR QB 1 54 ILE MD 5.000 2.500 6.000 3.613 3.125 4.862 . 0 0 "[ . 1 . 2]" 1
564 1 51 TYR QD 1 54 ILE HB 5.000 2.500 6.000 5.414 4.892 5.830 . 0 0 "[ . 1 . 2]" 1
565 1 51 TYR QD 1 54 ILE QG 5.000 2.500 6.000 5.806 4.820 6.012 0.012 3 0 "[ . 1 . 2]" 1
566 1 51 TYR H 1 54 ILE MD 5.000 2.500 6.000 3.925 3.073 4.806 . 0 0 "[ . 1 . 2]" 1
567 1 51 TYR H 1 54 ILE H 5.000 2.500 6.000 4.905 4.709 5.072 . 0 0 "[ . 1 . 2]" 1
568 1 51 TYR HA 1 55 LYS H 3.500 . 4.500 3.979 3.572 4.461 . 0 0 "[ . 1 . 2]" 1
569 1 51 TYR QE 1 55 LYS QD 3.500 . 4.500 4.195 2.317 4.504 0.004 16 0 "[ . 1 . 2]" 1
570 1 52 THR HA 1 53 ILE H 5.000 2.500 6.000 3.522 3.494 3.552 . 0 0 "[ . 1 . 2]" 1
571 1 52 THR HB 1 53 ILE HA 5.000 2.500 6.000 4.151 3.958 4.257 . 0 0 "[ . 1 . 2]" 1
572 1 52 THR HB 1 53 ILE QG 3.500 . 4.500 3.055 2.787 3.317 . 0 0 "[ . 1 . 2]" 1
573 1 52 THR HB 1 53 ILE H 3.500 . 4.500 2.710 2.487 2.901 . 0 0 "[ . 1 . 2]" 1
574 1 52 THR MG 1 53 ILE HA 5.000 2.500 6.000 3.900 3.559 4.416 . 0 0 "[ . 1 . 2]" 1
575 1 52 THR MG 1 53 ILE H 3.500 . 4.500 3.769 3.521 4.089 . 0 0 "[ . 1 . 2]" 1
576 1 52 THR H 1 53 ILE HA 5.000 2.500 6.000 5.248 5.044 5.373 . 0 0 "[ . 1 . 2]" 1
577 1 52 THR H 1 53 ILE HB 5.000 2.500 6.000 5.016 4.776 5.145 . 0 0 "[ . 1 . 2]" 1
578 1 52 THR H 1 53 ILE MD 5.000 2.500 6.000 4.968 4.615 5.238 . 0 0 "[ . 1 . 2]" 1
579 1 52 THR H 1 53 ILE H 3.500 . 4.500 2.623 2.370 2.779 . 0 0 "[ . 1 . 2]" 1
580 1 52 THR HA 1 54 ILE H 5.000 2.500 6.000 4.431 4.068 4.743 . 0 0 "[ . 1 . 2]" 1
581 1 52 THR H 1 54 ILE H 5.000 2.500 6.000 4.061 3.886 4.279 . 0 0 "[ . 1 . 2]" 1
582 1 52 THR HA 1 55 LYS HB3 3.500 . 4.500 4.204 3.233 4.503 0.003 5 0 "[ . 1 . 2]" 1
583 1 52 THR HA 1 55 LYS HB2 3.500 . 4.500 3.035 2.464 4.189 . 0 0 "[ . 1 . 2]" 1
584 1 52 THR HA 1 55 LYS H 3.500 . 4.500 3.671 3.397 3.938 . 0 0 "[ . 1 . 2]" 1
585 1 52 THR HA 1 56 PHE H 5.000 2.500 6.000 4.201 3.658 4.558 . 0 0 "[ . 1 . 2]" 1
586 1 52 THR MG 1 56 PHE QD 5.000 2.500 6.000 4.599 3.681 5.027 . 0 0 "[ . 1 . 2]" 1
587 1 53 ILE HA 1 54 ILE H 5.000 2.500 6.000 3.517 3.473 3.549 . 0 0 "[ . 1 . 2]" 1
588 1 53 ILE HB 1 54 ILE HA 5.000 2.500 6.000 4.162 4.083 4.254 . 0 0 "[ . 1 . 2]" 1
589 1 53 ILE HB 1 54 ILE QG 3.500 . 4.500 3.084 2.902 3.717 . 0 0 "[ . 1 . 2]" 1
590 1 53 ILE HB 1 54 ILE H 3.500 . 4.500 2.714 2.483 2.953 . 0 0 "[ . 1 . 2]" 1
591 1 53 ILE QG 1 54 ILE H 5.000 2.500 6.000 3.865 3.713 3.943 . 0 0 "[ . 1 . 2]" 1
592 1 53 ILE MG 1 54 ILE HA 3.500 . 4.500 3.774 3.640 3.894 . 0 0 "[ . 1 . 2]" 1
593 1 53 ILE MG 1 54 ILE H 3.500 . 4.500 3.713 3.592 3.866 . 0 0 "[ . 1 . 2]" 1
594 1 53 ILE H 1 54 ILE H 3.500 . 4.500 2.503 2.374 2.599 . 0 0 "[ . 1 . 2]" 1
595 1 53 ILE HA 1 55 LYS H 5.000 2.500 6.000 4.433 4.103 4.754 . 0 0 "[ . 1 . 2]" 1
596 1 53 ILE H 1 55 LYS H 5.000 2.500 6.000 4.067 3.815 4.413 . 0 0 "[ . 1 . 2]" 1
597 1 53 ILE HA 1 56 PHE HA 5.000 2.500 6.000 5.487 5.224 5.763 . 0 0 "[ . 1 . 2]" 1
598 1 53 ILE HA 1 56 PHE HB3 3.500 . 4.500 2.870 2.674 3.228 . 0 0 "[ . 1 . 2]" 1
599 1 53 ILE HA 1 56 PHE HB2 3.500 . 4.500 3.549 3.071 4.002 . 0 0 "[ . 1 . 2]" 1
600 1 53 ILE HA 1 56 PHE QD 3.500 . 4.500 4.400 4.130 4.507 0.007 12 0 "[ . 1 . 2]" 1
601 1 53 ILE HA 1 56 PHE H 3.500 . 4.500 3.518 3.274 3.756 . 0 0 "[ . 1 . 2]" 1
602 1 53 ILE MG 1 56 PHE QD 5.000 2.500 6.000 4.249 3.876 4.766 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE HA 1 57 PHE QD 5.000 2.500 6.000 3.643 2.776 4.133 . 0 0 "[ . 1 . 2]" 1
604 1 53 ILE HA 1 57 PHE QE 5.000 2.500 6.000 4.463 3.427 4.967 . 0 0 "[ . 1 . 2]" 1
605 1 53 ILE HA 1 57 PHE H 5.000 2.500 6.000 3.933 3.598 4.372 . 0 0 "[ . 1 . 2]" 1
606 1 53 ILE MD 1 57 PHE QD 5.000 2.500 6.000 4.677 3.803 5.383 . 0 0 "[ . 1 . 2]" 1
607 1 53 ILE MD 1 57 PHE QE 3.500 . 4.500 4.094 2.954 4.502 0.002 7 0 "[ . 1 . 2]" 1
608 1 53 ILE MG 1 57 PHE QD 2.500 . 3.500 2.096 1.856 2.486 . 0 0 "[ . 1 . 2]" 1
609 1 53 ILE MG 1 57 PHE QE 2.500 . 3.500 2.214 1.954 2.516 . 0 0 "[ . 1 . 2]" 1
610 1 53 ILE MG 1 57 PHE HZ 5.000 2.500 6.000 4.103 3.592 4.530 . 0 0 "[ . 1 . 2]" 1
611 1 54 ILE HA 1 55 LYS H 3.500 . 4.500 3.527 3.490 3.563 . 0 0 "[ . 1 . 2]" 1
612 1 54 ILE HB 1 55 LYS H 2.500 . 3.500 2.646 2.366 2.866 . 0 0 "[ . 1 . 2]" 1
613 1 54 ILE MG 1 55 LYS H 3.500 . 4.500 3.640 3.389 3.809 . 0 0 "[ . 1 . 2]" 1
614 1 54 ILE H 1 55 LYS H 3.500 . 4.500 2.579 2.372 2.725 . 0 0 "[ . 1 . 2]" 1
615 1 54 ILE HA 1 56 PHE H 3.500 . 4.500 4.332 4.139 4.501 0.001 14 0 "[ . 1 . 2]" 1
616 1 54 ILE H 1 56 PHE H 5.000 2.500 6.000 3.987 3.842 4.129 . 0 0 "[ . 1 . 2]" 1
617 1 54 ILE HA 1 57 PHE HB2 3.500 . 4.500 3.079 2.728 3.516 . 0 0 "[ . 1 . 2]" 1
618 1 54 ILE HA 1 58 GLN H 3.500 . 4.500 3.952 3.608 4.240 . 0 0 "[ . 1 . 2]" 1
619 1 54 ILE MG 1 58 GLN QE 3.500 . 4.500 3.413 2.280 4.367 . 0 0 "[ . 1 . 2]" 1
620 1 55 LYS HA 1 56 PHE H 3.500 . 4.500 3.508 3.484 3.543 . 0 0 "[ . 1 . 2]" 1
621 1 55 LYS HB3 1 56 PHE H 3.500 . 4.500 3.352 2.742 3.848 . 0 0 "[ . 1 . 2]" 1
622 1 55 LYS HB2 1 56 PHE H 3.500 . 4.500 3.069 2.785 3.960 . 0 0 "[ . 1 . 2]" 1
623 1 55 LYS H 1 56 PHE HB3 5.000 2.500 6.000 4.843 4.626 5.055 . 0 0 "[ . 1 . 2]" 1
624 1 55 LYS H 1 56 PHE HB2 5.000 2.500 6.000 4.854 4.587 5.165 . 0 0 "[ . 1 . 2]" 1
625 1 55 LYS H 1 56 PHE H 3.500 . 4.500 2.540 2.359 2.765 . 0 0 "[ . 1 . 2]" 1
626 1 55 LYS HA 1 58 GLN QB 3.500 . 4.500 2.616 2.355 2.823 . 0 0 "[ . 1 . 2]" 1
627 1 55 LYS HA 1 58 GLN QG 5.000 2.500 6.000 4.202 3.532 4.848 . 0 0 "[ . 1 . 2]" 1
628 1 55 LYS HA 1 58 GLN HG3 5.000 2.500 6.000 4.816 3.625 5.733 . 0 0 "[ . 1 . 2]" 1
629 1 55 LYS HA 1 58 GLN HG2 5.000 2.500 6.000 4.986 4.046 5.479 . 0 0 "[ . 1 . 2]" 1
630 1 55 LYS HA 1 58 GLN H 3.500 . 4.500 3.664 3.493 3.856 . 0 0 "[ . 1 . 2]" 1
631 1 55 LYS HA 1 59 ASN H 3.500 . 4.500 3.924 3.559 4.385 . 0 0 "[ . 1 . 2]" 1
632 1 56 PHE HA 1 57 PHE H 3.500 . 4.500 3.560 3.517 3.570 . 0 0 "[ . 1 . 2]" 1
633 1 56 PHE HB3 1 57 PHE QD 5.000 2.500 6.000 3.640 2.532 4.267 . 0 0 "[ . 1 . 2]" 1
634 1 56 PHE HB3 1 57 PHE H 3.500 . 4.500 2.337 2.008 2.729 . 0 0 "[ . 1 . 2]" 1
635 1 56 PHE HB2 1 57 PHE H 3.500 . 4.500 3.708 3.500 3.932 . 0 0 "[ . 1 . 2]" 1
636 1 56 PHE QD 1 57 PHE HA 3.500 . 4.500 3.292 2.696 4.226 . 0 0 "[ . 1 . 2]" 1
637 1 56 PHE QD 1 57 PHE QD 3.500 . 4.500 3.644 2.876 4.098 . 0 0 "[ . 1 . 2]" 1
638 1 56 PHE QD 1 57 PHE H 3.500 . 4.500 3.296 2.791 3.697 . 0 0 "[ . 1 . 2]" 1
639 1 56 PHE QD 1 57 PHE HZ 5.000 2.500 6.000 5.140 4.192 5.637 . 0 0 "[ . 1 . 2]" 1
640 1 56 PHE QE 1 57 PHE QE 5.000 2.500 6.000 4.885 4.269 5.347 . 0 0 "[ . 1 . 2]" 1
641 1 56 PHE H 1 57 PHE H 3.500 . 4.500 2.696 2.453 2.943 . 0 0 "[ . 1 . 2]" 1
642 1 56 PHE HA 1 58 GLN H 5.000 2.500 6.000 4.376 4.147 4.689 . 0 0 "[ . 1 . 2]" 1
643 1 56 PHE HB3 1 58 GLN H 5.000 2.500 6.000 4.750 4.394 4.956 . 0 0 "[ . 1 . 2]" 1
644 1 56 PHE HA 1 59 ASN HB3 3.500 . 4.500 4.256 4.119 4.492 . 0 0 "[ . 1 . 2]" 1
645 1 56 PHE HA 1 59 ASN HB2 3.500 . 4.500 2.773 2.589 3.071 . 0 0 "[ . 1 . 2]" 1
646 1 56 PHE HA 1 59 ASN QD 5.000 2.500 6.000 4.606 2.583 5.695 . 0 0 "[ . 1 . 2]" 1
647 1 56 PHE HA 1 59 ASN H 5.000 2.500 6.000 3.579 3.354 3.829 . 0 0 "[ . 1 . 2]" 1
648 1 56 PHE HA 1 60 GLN H 5.000 2.500 6.000 4.352 4.004 4.859 . 0 0 "[ . 1 . 2]" 1
649 1 56 PHE QD 1 60 GLN QE 3.500 . 4.500 3.912 3.396 4.348 . 0 0 "[ . 1 . 2]" 1
650 1 56 PHE QD 1 60 GLN QG 3.500 . 4.500 3.324 2.771 4.121 . 0 0 "[ . 1 . 2]" 1
651 1 56 PHE QD 1 60 GLN H 5.000 2.500 6.000 5.097 4.587 5.453 . 0 0 "[ . 1 . 2]" 1
652 1 56 PHE QE 1 60 GLN QE 3.500 . 4.500 3.012 2.209 3.780 . 0 0 "[ . 1 . 2]" 1
653 1 56 PHE QE 1 60 GLN QG 5.000 2.500 6.000 3.182 2.502 4.121 . 0 0 "[ . 1 . 2]" 1
654 1 56 PHE HZ 1 60 GLN QE 3.500 . 4.500 3.057 2.401 4.110 . 0 0 "[ . 1 . 2]" 1
655 1 57 PHE HA 1 58 GLN H 3.500 . 4.500 3.512 3.484 3.556 . 0 0 "[ . 1 . 2]" 1
656 1 57 PHE HB3 1 58 GLN H 3.500 . 4.500 3.446 3.086 3.800 . 0 0 "[ . 1 . 2]" 1
657 1 57 PHE HB2 1 58 GLN H 3.500 . 4.500 2.915 2.721 3.075 . 0 0 "[ . 1 . 2]" 1
658 1 57 PHE QD 1 58 GLN H 5.000 2.500 6.000 4.551 4.339 4.683 . 0 0 "[ . 1 . 2]" 1
659 1 57 PHE H 1 58 GLN H 3.500 . 4.500 2.649 2.408 2.776 . 0 0 "[ . 1 . 2]" 1
660 1 57 PHE H 1 59 ASN H 5.000 2.500 6.000 4.170 3.968 4.407 . 0 0 "[ . 1 . 2]" 1
661 1 57 PHE HA 1 60 GLN HB3 5.000 2.500 6.000 4.406 3.850 5.169 . 0 0 "[ . 1 . 2]" 1
662 1 57 PHE HA 1 60 GLN QG 2.500 . 3.500 2.881 2.390 3.499 . 0 0 "[ . 1 . 2]" 1
663 1 57 PHE HA 1 60 GLN H 3.500 . 4.500 3.546 3.213 3.823 . 0 0 "[ . 1 . 2]" 1
664 1 57 PHE HA 1 61 ARG H 5.000 2.500 6.000 4.697 4.075 5.472 . 0 0 "[ . 1 . 2]" 1
665 1 58 GLN HA 1 59 ASN H 3.500 . 4.500 3.522 3.483 3.561 . 0 0 "[ . 1 . 2]" 1
666 1 58 GLN QB 1 59 ASN H 3.500 . 4.500 2.662 2.336 2.876 . 0 0 "[ . 1 . 2]" 1
667 1 58 GLN H 1 59 ASN HB2 5.000 2.500 6.000 4.458 4.326 4.639 . 0 0 "[ . 1 . 2]" 1
668 1 58 GLN H 1 60 GLN H 5.000 2.500 6.000 3.980 3.768 4.348 . 0 0 "[ . 1 . 2]" 1
669 1 58 GLN HA 1 61 ARG HB3 5.000 2.500 6.000 4.898 4.021 5.679 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLN HA 1 61 ARG QD 5.000 2.500 6.000 4.491 2.496 5.508 0.004 19 0 "[ . 1 . 2]" 1
671 1 58 GLN HA 1 61 ARG H 3.500 . 4.500 3.648 3.336 3.936 . 0 0 "[ . 1 . 2]" 1
672 1 58 GLN HA 1 62 TYR H 5.000 2.500 6.000 4.724 3.683 5.789 . 0 0 "[ . 1 . 2]" 1
673 1 59 ASN HA 1 60 GLN H 3.500 . 4.500 3.486 3.300 3.559 . 0 0 "[ . 1 . 2]" 1
674 1 59 ASN HB3 1 60 GLN H 3.500 . 4.500 3.505 3.075 3.993 . 0 0 "[ . 1 . 2]" 1
675 1 59 ASN HB2 1 60 GLN H 3.500 . 4.500 3.047 2.695 3.646 . 0 0 "[ . 1 . 2]" 1
676 1 59 ASN H 1 60 GLN H 3.500 . 4.500 2.573 2.377 2.724 . 0 0 "[ . 1 . 2]" 1
677 1 59 ASN HA 1 61 ARG H 5.000 2.500 6.000 4.221 3.805 4.708 . 0 0 "[ . 1 . 2]" 1
678 1 59 ASN H 1 61 ARG H 5.000 2.500 6.000 4.245 3.911 4.789 . 0 0 "[ . 1 . 2]" 1
679 1 59 ASN HA 1 62 TYR QB 2.500 . 3.500 2.895 2.192 3.504 0.004 19 0 "[ . 1 . 2]" 1
680 1 59 ASN HA 1 62 TYR QD 5.000 2.500 6.000 3.792 2.535 4.781 . 0 0 "[ . 1 . 2]" 1
681 1 59 ASN HA 1 62 TYR H 3.500 . 4.500 3.496 3.138 4.031 . 0 0 "[ . 1 . 2]" 1
682 1 59 ASN HA 1 63 TYR H 5.000 2.500 6.000 4.178 3.610 5.020 . 0 0 "[ . 1 . 2]" 1
683 1 60 GLN HA 1 61 ARG H 3.500 . 4.500 3.515 3.441 3.570 . 0 0 "[ . 1 . 2]" 1
684 1 60 GLN HB2 1 61 ARG HA 5.000 2.500 6.000 4.471 4.168 4.736 . 0 0 "[ . 1 . 2]" 1
685 1 60 GLN HB2 1 61 ARG H 3.500 . 4.500 2.780 2.355 3.148 . 0 0 "[ . 1 . 2]" 1
686 1 60 GLN H 1 61 ARG H 3.500 . 4.500 2.641 2.154 2.912 . 0 0 "[ . 1 . 2]" 1
687 1 60 GLN H 1 62 TYR H 3.500 . 4.500 4.187 3.911 4.421 . 0 0 "[ . 1 . 2]" 1
688 1 60 GLN HA 1 63 TYR QB 2.500 . 3.500 2.639 2.220 3.181 . 0 0 "[ . 1 . 2]" 1
689 1 60 GLN HA 1 63 TYR QD 3.500 . 4.500 4.204 3.597 4.502 0.002 4 0 "[ . 1 . 2]" 1
690 1 60 GLN HA 1 63 TYR H 3.500 . 4.500 3.526 3.013 3.918 . 0 0 "[ . 1 . 2]" 1
691 1 60 GLN QE 1 64 LEU QD 5.000 2.500 6.000 4.890 3.492 5.889 . 0 0 "[ . 1 . 2]" 1
692 1 61 ARG HA 1 62 TYR H 3.500 . 4.500 3.529 3.489 3.567 . 0 0 "[ . 1 . 2]" 1
693 1 61 ARG HB2 1 62 TYR H 3.500 . 4.500 2.740 2.349 3.049 . 0 0 "[ . 1 . 2]" 1
694 1 61 ARG QD 1 62 TYR QD 5.000 2.500 6.000 5.021 4.458 5.700 . 0 0 "[ . 1 . 2]" 1
695 1 61 ARG H 1 62 TYR QB 5.000 2.500 6.000 4.483 4.227 4.793 . 0 0 "[ . 1 . 2]" 1
696 1 61 ARG H 1 62 TYR H 3.500 . 4.500 2.615 2.438 2.779 . 0 0 "[ . 1 . 2]" 1
697 1 61 ARG HA 1 64 LEU QB 3.500 . 4.500 3.620 2.593 4.506 0.006 9 0 "[ . 1 . 2]" 1
698 1 61 ARG HA 1 64 LEU QD 2.500 . 3.500 3.095 2.321 3.500 0.000 11 0 "[ . 1 . 2]" 1
699 1 61 ARG HA 1 64 LEU H 3.500 . 4.500 3.803 3.434 4.173 . 0 0 "[ . 1 . 2]" 1
700 1 62 TYR QD 1 63 TYR H 3.500 . 4.500 4.216 1.996 4.494 0.004 19 0 "[ . 1 . 2]" 1
701 1 62 TYR H 1 63 TYR H 3.500 . 4.500 2.539 2.196 2.852 . 0 0 "[ . 1 . 2]" 1
702 1 62 TYR H 1 64 LEU H 5.000 2.500 6.000 4.152 3.869 4.510 . 0 0 "[ . 1 . 2]" 1
703 1 62 TYR HA 1 65 LYS QB 3.500 . 4.500 2.899 2.207 3.584 . 0 0 "[ . 1 . 2]" 1
704 1 62 TYR HA 1 65 LYS H 3.500 . 4.500 3.896 2.865 4.503 0.003 14 0 "[ . 1 . 2]" 1
705 1 62 TYR HA 1 66 HIS HD2 3.500 . 4.500 3.332 2.087 4.302 . 0 0 "[ . 1 . 2]" 1
706 1 62 TYR HA 1 66 HIS H 5.000 2.500 6.000 3.866 2.507 5.015 . 0 0 "[ . 1 . 2]" 1
707 1 62 TYR QD 1 66 HIS HE1 5.000 2.500 6.000 4.637 2.930 5.951 . 0 0 "[ . 1 . 2]" 1
708 1 63 TYR HA 1 64 LEU H 3.500 . 4.500 3.499 3.459 3.548 . 0 0 "[ . 1 . 2]" 1
709 1 63 TYR QB 1 64 LEU H 2.500 . 3.500 2.758 2.501 2.941 . 0 0 "[ . 1 . 2]" 1
710 1 63 TYR QD 1 64 LEU HA 3.500 . 4.500 3.839 2.800 4.511 0.011 5 0 "[ . 1 . 2]" 1
711 1 63 TYR QD 1 64 LEU QD 2.500 . 3.500 2.763 2.273 3.500 . 0 0 "[ . 1 . 2]" 1
712 1 63 TYR QD 1 64 LEU HG 3.500 . 4.500 3.212 2.221 4.502 0.002 15 0 "[ . 1 . 2]" 1
713 1 63 TYR QD 1 64 LEU H 3.500 . 4.500 3.884 3.033 4.274 . 0 0 "[ . 1 . 2]" 1
714 1 63 TYR QE 1 64 LEU HA 5.000 2.500 6.000 5.132 4.293 5.638 . 0 0 "[ . 1 . 2]" 1
715 1 63 TYR QE 1 64 LEU QD 3.500 . 4.500 3.954 3.156 4.500 . 0 0 "[ . 1 . 2]" 1
716 1 63 TYR QE 1 64 LEU HG 5.000 2.500 6.000 4.902 3.747 6.005 0.005 9 0 "[ . 1 . 2]" 1
717 1 63 TYR H 1 64 LEU H 3.500 . 4.500 2.653 2.117 2.824 . 0 0 "[ . 1 . 2]" 1
718 1 63 TYR H 1 65 LYS H 5.000 2.500 6.000 4.383 3.968 4.788 . 0 0 "[ . 1 . 2]" 1
719 1 63 TYR HA 1 66 HIS H 3.500 . 4.500 4.114 3.619 4.485 . 0 0 "[ . 1 . 2]" 1
720 1 63 TYR HA 1 67 HIS HD2 3.500 . 4.500 3.610 2.142 4.506 0.006 6 0 "[ . 1 . 2]" 1
721 1 63 TYR QD 1 67 HIS QB 5.000 2.500 6.000 4.327 2.654 6.008 0.008 7 0 "[ . 1 . 2]" 1
722 1 63 TYR QD 1 67 HIS HD2 3.500 . 4.500 3.795 2.138 4.523 0.023 5 0 "[ . 1 . 2]" 1
723 1 63 TYR QE 1 67 HIS QB 5.000 2.500 6.000 4.547 3.082 5.852 . 0 0 "[ . 1 . 2]" 1
724 1 63 TYR QD 1 70 LEU HA 5.000 2.500 6.000 5.511 4.217 6.004 0.004 5 0 "[ . 1 . 2]" 1
725 1 63 TYR QD 1 70 LEU QD 3.500 . 4.500 3.865 2.000 4.502 0.002 11 0 "[ . 1 . 2]" 1
726 1 63 TYR QE 1 70 LEU QD 5.000 2.500 6.000 3.145 2.499 4.356 0.001 19 0 "[ . 1 . 2]" 1
727 1 64 LEU QB 1 65 LYS H 3.500 . 4.500 3.546 2.721 4.029 . 0 0 "[ . 1 . 2]" 1
728 1 64 LEU H 1 65 LYS H 2.500 . 3.500 2.827 2.156 3.183 . 0 0 "[ . 1 . 2]" 1
729 1 64 LEU H 1 66 HIS H 5.000 2.500 6.000 4.385 4.036 4.923 . 0 0 "[ . 1 . 2]" 1
730 1 65 LYS HA 1 66 HIS H 3.500 . 4.500 3.364 2.804 3.572 . 0 0 "[ . 1 . 2]" 1
731 1 65 LYS QB 1 66 HIS HD2 3.500 . 4.500 2.858 1.996 3.781 0.004 4 0 "[ . 1 . 2]" 1
732 1 65 LYS QB 1 66 HIS H 3.500 . 4.500 2.807 2.085 3.866 . 0 0 "[ . 1 . 2]" 1
733 1 65 LYS QG 1 66 HIS HD2 5.000 2.500 6.000 4.657 3.383 5.703 . 0 0 "[ . 1 . 2]" 1
734 1 65 LYS H 1 66 HIS HB2 5.000 2.500 6.000 4.143 3.545 4.705 . 0 0 "[ . 1 . 2]" 1
735 1 65 LYS H 1 66 HIS H 2.500 . 3.500 2.379 1.954 2.825 . 0 0 "[ . 1 . 2]" 1
736 1 66 HIS HA 1 67 HIS H 5.000 2.500 6.000 3.352 2.501 3.572 . 0 0 "[ . 1 . 2]" 1
737 1 66 HIS HB3 1 67 HIS HD2 5.000 2.500 6.000 4.533 2.572 6.001 0.001 6 0 "[ . 1 . 2]" 1
738 1 67 HIS HA 1 68 GLY H 3.500 . 4.500 2.524 2.143 3.569 . 0 0 "[ . 1 . 2]" 1
739 1 68 GLY QA 1 69 LYS H 2.500 . 3.500 2.504 2.121 2.823 . 0 0 "[ . 1 . 2]" 1
740 1 68 GLY H 1 69 LYS H 5.000 2.500 6.000 3.196 2.500 4.510 . 12 0 "[ . 1 . 2]" 1
741 1 69 LYS HA 1 70 LEU H 2.000 . 2.800 2.303 2.138 2.804 0.004 20 0 "[ . 1 . 2]" 1
742 1 69 LYS HB3 1 70 LEU H 3.500 . 4.500 3.755 2.046 4.482 . 0 0 "[ . 1 . 2]" 1
743 1 69 LYS HB2 1 70 LEU H 3.500 . 4.500 4.115 3.194 4.503 0.003 16 0 "[ . 1 . 2]" 1
744 1 69 LYS H 1 70 LEU H 3.500 . 4.500 3.929 2.628 4.501 0.001 18 0 "[ . 1 . 2]" 1
745 1 70 LEU HA 1 71 LYS H 2.500 . 3.500 2.863 2.166 3.550 0.050 2 0 "[ . 1 . 2]" 1
746 1 70 LEU QB 1 71 LYS H 2.500 . 3.500 2.611 1.947 3.501 0.001 20 0 "[ . 1 . 2]" 1
747 1 70 LEU MD1 1 71 LYS H 5.000 2.500 6.000 4.327 3.134 4.745 . 0 0 "[ . 1 . 2]" 1
748 1 70 LEU MD2 1 71 LYS H 5.000 2.500 6.000 3.671 2.501 4.868 . 0 0 "[ . 1 . 2]" 1
749 1 70 LEU H 1 71 LYS H 5.000 2.500 6.000 3.644 2.519 4.616 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 2.740
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0020
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 SER 0.017 0.005 8 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.024 0.005 8 0 "[ . 1 . 2]"
1 19 ALA 0.016 0.005 8 0 "[ . 1 . 2]"
1 20 LEU 0.001 0.001 3 0 "[ . 1 . 2]"
1 21 GLY 0.017 0.004 5 0 "[ . 1 . 2]"
1 22 ILE 0.034 0.005 8 0 "[ . 1 . 2]"
1 23 LEU 0.009 0.004 9 0 "[ . 1 . 2]"
1 24 GLN 0.005 0.005 6 0 "[ . 1 . 2]"
1 25 SER 0.027 0.009 8 0 "[ . 1 . 2]"
1 26 PHE 0.012 0.004 4 0 "[ . 1 . 2]"
1 27 ILE 0.009 0.004 9 0 "[ . 1 . 2]"
1 28 GLN 0.005 0.005 6 0 "[ . 1 . 2]"
1 29 ASP 0.010 0.009 8 0 "[ . 1 . 2]"
1 30 VAL 0.003 0.003 6 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.006 0.002 12 0 "[ . 1 . 2]"
1 36 GLU 0.001 0.001 11 0 "[ . 1 . 2]"
1 37 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 38 ALA 0.006 0.002 12 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.007 0.003 12 0 "[ . 1 . 2]"
1 41 THR 0.001 0.001 14 0 "[ . 1 . 2]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.002 0.001 7 0 "[ . 1 . 2]"
1 44 ALA 0.006 0.003 12 0 "[ . 1 . 2]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.002 0.001 7 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.004 0.004 5 0 "[ . 1 . 2]"
1 51 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.001 0.001 20 0 "[ . 1 . 2]"
1 53 ILE 0.003 0.003 4 0 "[ . 1 . 2]"
1 54 ILE 0.005 0.004 5 0 "[ . 1 . 2]"
1 55 LYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 56 PHE 0.016 0.011 19 0 "[ . 1 . 2]"
1 57 PHE 0.003 0.003 4 0 "[ . 1 . 2]"
1 58 GLN 0.002 0.002 2 0 "[ . 1 . 2]"
1 59 ASN 0.003 0.003 16 0 "[ . 1 . 2]"
1 60 GLN 0.015 0.011 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 SER O 1 19 ALA N 3.300 2.500 3.500 3.116 3.031 3.183 . 0 0 "[ . 1 . 2]" 2
2 1 16 SER O 1 19 ALA H 2.300 . 2.500 2.484 2.279 2.505 0.005 8 0 "[ . 1 . 2]" 2
3 1 16 SER O 1 20 LEU N 3.300 2.500 3.500 3.133 2.847 3.415 . 0 0 "[ . 1 . 2]" 2
4 1 16 SER O 1 20 LEU H 2.300 . 2.500 2.216 1.878 2.501 0.001 3 0 "[ . 1 . 2]" 2
5 1 17 VAL O 1 21 GLY N 3.300 2.500 3.500 3.068 2.703 3.351 . 0 0 "[ . 1 . 2]" 2
6 1 17 VAL O 1 21 GLY H 2.300 . 2.500 2.166 1.805 2.477 . 0 0 "[ . 1 . 2]" 2
7 1 18 GLU O 1 22 ILE N 3.300 2.500 3.500 3.369 3.025 3.481 . 0 0 "[ . 1 . 2]" 2
8 1 18 GLU O 1 22 ILE H 2.300 . 2.500 2.432 2.061 2.505 0.005 8 0 "[ . 1 . 2]" 2
9 1 19 ALA O 1 23 LEU N 3.300 2.500 3.500 2.944 2.646 3.328 . 0 0 "[ . 1 . 2]" 2
10 1 19 ALA O 1 23 LEU H 2.300 . 2.500 2.050 1.739 2.437 . 0 0 "[ . 1 . 2]" 2
11 1 20 LEU O 1 24 GLN N 3.300 2.500 3.500 2.972 2.760 3.312 . 0 0 "[ . 1 . 2]" 2
12 1 20 LEU O 1 24 GLN H 2.300 . 2.500 2.058 1.841 2.448 . 0 0 "[ . 1 . 2]" 2
13 1 21 GLY O 1 25 SER N 3.300 2.500 3.500 3.359 3.235 3.467 . 0 0 "[ . 1 . 2]" 2
14 1 21 GLY O 1 25 SER H 2.300 . 2.500 2.454 2.340 2.504 0.004 5 0 "[ . 1 . 2]" 2
15 1 22 ILE O 1 26 PHE N 3.300 2.500 3.500 3.240 2.981 3.412 . 0 0 "[ . 1 . 2]" 2
16 1 22 ILE O 1 26 PHE H 2.300 . 2.500 2.382 2.112 2.504 0.004 4 0 "[ . 1 . 2]" 2
17 1 23 LEU O 1 27 ILE N 3.300 2.500 3.500 3.231 2.968 3.386 . 0 0 "[ . 1 . 2]" 2
18 1 23 LEU O 1 27 ILE H 2.300 . 2.500 2.359 1.995 2.504 0.004 9 0 "[ . 1 . 2]" 2
19 1 24 GLN O 1 28 GLN N 3.300 2.500 3.500 3.096 2.846 3.267 . 0 0 "[ . 1 . 2]" 2
20 1 24 GLN O 1 28 GLN H 2.300 . 2.500 2.242 2.007 2.505 0.005 6 0 "[ . 1 . 2]" 2
21 1 25 SER O 1 29 ASP N 3.300 2.500 3.500 2.878 2.590 3.156 . 0 0 "[ . 1 . 2]" 2
22 1 25 SER O 1 29 ASP H 2.300 . 2.500 2.070 1.771 2.509 0.009 8 0 "[ . 1 . 2]" 2
23 1 26 PHE O 1 30 VAL N 3.300 2.500 3.500 2.743 2.581 2.907 . 0 0 "[ . 1 . 2]" 2
24 1 26 PHE O 1 30 VAL H 2.300 . 2.500 2.010 1.706 2.503 0.003 6 0 "[ . 1 . 2]" 2
25 1 26 PHE O 1 31 GLY N 3.300 2.500 3.500 3.026 2.552 3.349 . 0 0 "[ . 1 . 2]" 2
26 1 26 PHE O 1 31 GLY H 2.300 . 2.500 2.147 1.688 2.459 . 0 0 "[ . 1 . 2]" 2
27 1 35 ASP O 1 38 ALA N 3.300 2.500 3.500 2.958 2.723 3.095 . 0 0 "[ . 1 . 2]" 2
28 1 35 ASP O 1 38 ALA H 2.300 . 2.500 2.317 2.024 2.502 0.002 12 0 "[ . 1 . 2]" 2
29 1 35 ASP O 1 39 ILE N 3.300 2.500 3.500 3.031 2.818 3.301 . 0 0 "[ . 1 . 2]" 2
30 1 35 ASP O 1 39 ILE H 2.300 . 2.500 2.103 1.842 2.500 . 0 0 "[ . 1 . 2]" 2
31 1 36 GLU O 1 40 GLN N 3.300 2.500 3.500 3.235 2.937 3.379 . 0 0 "[ . 1 . 2]" 2
32 1 36 GLU O 1 40 GLN H 2.300 . 2.500 2.375 2.079 2.501 0.001 11 0 "[ . 1 . 2]" 2
33 1 37 GLU O 1 41 THR N 3.300 2.500 3.500 3.174 2.818 3.408 . 0 0 "[ . 1 . 2]" 2
34 1 37 GLU O 1 41 THR H 2.300 . 2.500 2.275 1.865 2.501 0.001 14 0 "[ . 1 . 2]" 2
35 1 38 ALA O 1 42 LEU N 3.300 2.500 3.500 2.964 2.599 3.226 . 0 0 "[ . 1 . 2]" 2
36 1 38 ALA O 1 42 LEU H 2.300 . 2.500 2.065 1.746 2.394 . 0 0 "[ . 1 . 2]" 2
37 1 39 ILE O 1 43 SER N 3.300 2.500 3.500 2.948 2.639 3.380 . 0 0 "[ . 1 . 2]" 2
38 1 39 ILE O 1 43 SER H 2.300 . 2.500 2.081 1.723 2.475 . 0 0 "[ . 1 . 2]" 2
39 1 40 GLN O 1 44 ALA N 3.300 2.500 3.500 3.285 2.656 3.464 . 0 0 "[ . 1 . 2]" 2
40 1 40 GLN O 1 44 ALA H 2.300 . 2.500 2.371 1.837 2.503 0.003 12 0 "[ . 1 . 2]" 2
41 1 41 THR O 1 45 GLN N 3.300 2.500 3.500 2.913 2.626 3.192 . 0 0 "[ . 1 . 2]" 2
42 1 41 THR O 1 45 GLN H 2.300 . 2.500 2.008 1.678 2.319 . 0 0 "[ . 1 . 2]" 2
43 1 42 LEU O 1 46 LEU N 3.300 2.500 3.500 2.814 2.603 3.142 . 0 0 "[ . 1 . 2]" 2
44 1 42 LEU O 1 46 LEU H 2.300 . 2.500 1.910 1.672 2.348 . 0 0 "[ . 1 . 2]" 2
45 1 43 SER O 1 47 ASP N 3.300 2.500 3.500 2.736 2.591 3.037 . 0 0 "[ . 1 . 2]" 2
46 1 43 SER O 1 47 ASP H 2.300 . 2.500 2.199 1.921 2.501 0.001 7 0 "[ . 1 . 2]" 2
47 1 43 SER O 1 48 LEU N 3.300 2.500 3.500 2.930 2.743 3.189 . 0 0 "[ . 1 . 2]" 2
48 1 43 SER O 1 48 LEU H 2.300 . 2.500 2.194 1.879 2.496 . 0 0 "[ . 1 . 2]" 2
49 1 50 LYS O 1 53 ILE N 3.300 2.500 3.500 2.988 2.761 3.177 . 0 0 "[ . 1 . 2]" 2
50 1 50 LYS O 1 53 ILE H 2.300 . 2.500 2.282 2.096 2.499 . 0 0 "[ . 1 . 2]" 2
51 1 50 LYS O 1 54 ILE N 3.300 2.500 3.500 3.152 2.715 3.368 . 0 0 "[ . 1 . 2]" 2
52 1 50 LYS O 1 54 ILE H 2.300 . 2.500 2.234 1.753 2.504 0.004 5 0 "[ . 1 . 2]" 2
53 1 51 TYR O 1 55 LYS N 3.300 2.500 3.500 2.957 2.757 3.354 . 0 0 "[ . 1 . 2]" 2
54 1 51 TYR O 1 55 LYS H 2.300 . 2.500 2.054 1.785 2.468 . 0 0 "[ . 1 . 2]" 2
55 1 52 THR O 1 56 PHE N 3.300 2.500 3.500 3.154 2.789 3.346 . 0 0 "[ . 1 . 2]" 2
56 1 52 THR O 1 56 PHE H 2.300 . 2.500 2.309 1.908 2.501 0.001 20 0 "[ . 1 . 2]" 2
57 1 53 ILE O 1 57 PHE N 3.300 2.500 3.500 3.062 2.867 3.468 . 0 0 "[ . 1 . 2]" 2
58 1 53 ILE O 1 57 PHE H 2.300 . 2.500 2.107 1.919 2.503 0.003 4 0 "[ . 1 . 2]" 2
59 1 54 ILE O 1 58 GLN N 3.300 2.500 3.500 3.000 2.702 3.346 . 0 0 "[ . 1 . 2]" 2
60 1 54 ILE O 1 58 GLN H 2.300 . 2.500 2.150 1.786 2.502 0.002 2 0 "[ . 1 . 2]" 2
61 1 55 LYS O 1 59 ASN N 3.300 2.500 3.500 2.939 2.667 3.268 . 0 0 "[ . 1 . 2]" 2
62 1 55 LYS O 1 59 ASN H 2.300 . 2.500 2.099 1.726 2.503 0.003 16 0 "[ . 1 . 2]" 2
63 1 56 PHE O 1 60 GLN N 3.300 2.500 3.500 3.064 2.619 3.314 . 0 0 "[ . 1 . 2]" 2
64 1 56 PHE O 1 60 GLN H 2.300 . 2.500 2.239 1.830 2.511 0.011 19 0 "[ . 1 . 2]" 2
stop_
save_
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